mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-14 03:10:47 +00:00
1042 lines
34 KiB
Plaintext
1042 lines
34 KiB
Plaintext
bin/GMXRC
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bin/GMXRC.bash
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bin/GMXRC.csh
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bin/GMXRC.zsh
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bin/completion.bash
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bin/completion.csh
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bin/completion.zsh
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bin/demux.pl
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bin/do_dssp
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bin/editconf
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bin/eneconv
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bin/g_anadock
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bin/g_anaeig
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bin/g_analyze
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bin/g_angle
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bin/g_bar
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bin/g_bond
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bin/g_bundle
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bin/g_chi
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bin/g_cluster
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bin/g_clustsize
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bin/g_confrms
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bin/g_covar
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bin/g_current
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bin/g_density
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bin/g_densmap
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bin/g_densorder
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bin/g_dielectric
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bin/g_dih
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bin/g_dipoles
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bin/g_disre
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bin/g_dist
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bin/g_dos
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bin/g_dyndom
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bin/g_enemat
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bin/g_energy
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bin/g_filter
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bin/g_gyrate
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bin/g_h2order
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bin/g_hbond
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bin/g_helix
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bin/g_helixorient
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bin/g_hydorder
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bin/g_kinetics
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bin/g_lie
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bin/g_luck
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bin/g_mdmat
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bin/g_membed
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bin/g_mindist
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bin/g_morph
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bin/g_msd
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bin/g_nmeig
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bin/g_nmens
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bin/g_nmtraj
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bin/g_options
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bin/g_order
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bin/g_pme_error
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bin/g_polystat
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bin/g_potential
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bin/g_principal
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bin/g_protonate
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bin/g_rama
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bin/g_rdf
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bin/g_rms
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bin/g_rmsdist
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bin/g_rmsf
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bin/g_rotacf
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bin/g_rotmat
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bin/g_saltbr
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bin/g_sas
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bin/g_select
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bin/g_sgangle
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bin/g_sham
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bin/g_sigeps
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bin/g_sorient
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bin/g_spatial
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bin/g_spol
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bin/g_tcaf
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bin/g_traj
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bin/g_tune_pme
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bin/g_vanhove
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bin/g_velacc
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bin/g_wham
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bin/g_wheel
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bin/g_x2top
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%%X11%%bin/g_xrama
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bin/genbox
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bin/genconf
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bin/genion
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bin/genrestr
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bin/gmxcheck
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bin/gmxdump
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bin/grompp
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bin/make_edi
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bin/make_ndx
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bin/mdrun
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bin/mk_angndx
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%%X11%%bin/ngmx
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bin/pdb2gmx
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bin/tpbconv
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bin/trjcat
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bin/trjconv
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bin/trjorder
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bin/xplor2gmx.pl
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bin/xpm2ps
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include/gromacs/3dview.h
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include/gromacs/assert.h
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include/gromacs/atomprop.h
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include/gromacs/bondf.h
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include/gromacs/calcgrid.h
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include/gromacs/calch.h
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include/gromacs/calcmu.h
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include/gromacs/centerofmass.h
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include/gromacs/chargegroup.h
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include/gromacs/checkpoint.h
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include/gromacs/confio.h
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include/gromacs/constr.h
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include/gromacs/copyrite.h
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include/gromacs/coulomb.h
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include/gromacs/dihre.h
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include/gromacs/displacement.h
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include/gromacs/disre.h
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include/gromacs/do_fit.h
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include/gromacs/domdec.h
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include/gromacs/domdec_network.h
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include/gromacs/ebin.h
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include/gromacs/edsam.h
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include/gromacs/enxio.h
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include/gromacs/ffscanf.h
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include/gromacs/filenm.h
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include/gromacs/force.h
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include/gromacs/futil.h
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include/gromacs/gbutil.h
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include/gromacs/gen_ad.h
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include/gromacs/genborn.h
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include/gromacs/gmx_ana.h
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include/gromacs/gmx_arpack.h
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include/gromacs/gmx_blas.h
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include/gromacs/gmx_cyclecounter.h
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include/gromacs/gmx_fatal.h
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include/gromacs/gmx_fft.h
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include/gromacs/gmx_ga2la.h
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include/gromacs/gmx_lapack.h
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include/gromacs/gmx_matrix.h
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include/gromacs/gmx_parallel_3dfft.h
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include/gromacs/gmx_random.h
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include/gromacs/gmx_sort.h
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include/gromacs/gmx_sse2_double.h
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include/gromacs/gmx_sse2_single.h
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include/gromacs/gmx_statistics.h
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include/gromacs/gmx_system_xdr.h
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include/gromacs/gmx_wallcycle.h
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include/gromacs/gmxcomplex.h
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include/gromacs/gmxcpp.h
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include/gromacs/gmxfio.h
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include/gromacs/gpp_atomtype.h
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include/gromacs/gpp_nextnb.h
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include/gromacs/grompp.h
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include/gromacs/gstat.h
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include/gromacs/hackblock.h
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include/gromacs/histogram.h
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include/gromacs/index.h
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include/gromacs/indexutil.h
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include/gromacs/inputrec.h
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include/gromacs/invblock.h
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include/gromacs/macros.h
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include/gromacs/magic.h
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include/gromacs/main.h
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include/gromacs/mainpage.h
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include/gromacs/maths.h
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include/gromacs/matio.h
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include/gromacs/md5.h
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include/gromacs/mdatoms.h
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include/gromacs/mdebin.h
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include/gromacs/mdrun.h
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include/gromacs/molfile_plugin.h
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include/gromacs/mpelogging.h
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include/gromacs/mshift.h
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include/gromacs/mtop_util.h
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include/gromacs/mtxio.h
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include/gromacs/mvdata.h
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include/gromacs/names.h
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include/gromacs/nbsearch.h
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include/gromacs/network.h
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include/gromacs/nonbonded.h
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include/gromacs/nrama.h
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include/gromacs/nrjac.h
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include/gromacs/nrnb.h
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include/gromacs/ns.h
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include/gromacs/nsgrid.h
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include/gromacs/oenv.h
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include/gromacs/orires.h
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include/gromacs/partdec.h
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include/gromacs/pbc.h
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include/gromacs/pdb2top.h
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include/gromacs/pdbio.h
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include/gromacs/perf_est.h
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include/gromacs/physics.h
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include/gromacs/pme.h
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include/gromacs/poscalc.h
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include/gromacs/position.h
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include/gromacs/pppm.h
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include/gromacs/princ.h
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include/gromacs/pull.h
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include/gromacs/qmmm.h
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include/gromacs/random.h
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include/gromacs/rbin.h
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include/gromacs/rdgroup.h
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include/gromacs/readinp.h
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include/gromacs/resall.h
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include/gromacs/rmpbc.h
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include/gromacs/selection.h
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include/gromacs/selmethod.h
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include/gromacs/selparam.h
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include/gromacs/selvalue.h
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include/gromacs/sfactor.h
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include/gromacs/shellfc.h
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include/gromacs/shift.h
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include/gromacs/sighandler.h
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include/gromacs/smalloc.h
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include/gromacs/sortwater.h
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include/gromacs/sparsematrix.h
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include/gromacs/split.h
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include/gromacs/splitter.h
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include/gromacs/statutil.h
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include/gromacs/strdb.h
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include/gromacs/string2.h
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include/gromacs/symtab.h
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include/gromacs/sysstuff.h
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include/gromacs/tgroup.h
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include/gromacs/thread_mpi.h
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include/gromacs/thread_mpi/atomic.h
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include/gromacs/thread_mpi/atomic/cycles.h
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include/gromacs/thread_mpi/atomic/gcc.h
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include/gromacs/thread_mpi/atomic/gcc_ia64.h
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include/gromacs/thread_mpi/atomic/gcc_intrinsics.h
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include/gromacs/thread_mpi/atomic/gcc_ppc.h
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include/gromacs/thread_mpi/atomic/gcc_spinlock.h
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include/gromacs/thread_mpi/atomic/gcc_x86.h
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include/gromacs/thread_mpi/atomic/msvc.h
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include/gromacs/thread_mpi/atomic/xlc_ppc.h
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include/gromacs/thread_mpi/barrier.h
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include/gromacs/thread_mpi/collective.h
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include/gromacs/thread_mpi/event.h
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include/gromacs/thread_mpi/list.h
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include/gromacs/thread_mpi/lock.h
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include/gromacs/thread_mpi/mpi_bindings.h
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include/gromacs/thread_mpi/numa_malloc.h
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include/gromacs/thread_mpi/threads.h
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include/gromacs/thread_mpi/tmpi.h
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include/gromacs/thread_mpi/wait.h
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include/gromacs/tmpi.h
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include/gromacs/topsort.h
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include/gromacs/toputil.h
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include/gromacs/tpxio.h
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include/gromacs/trajana.h
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include/gromacs/trnio.h
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include/gromacs/txtdump.h
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include/gromacs/typedefs.h
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include/gromacs/types/atoms.h
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include/gromacs/types/block.h
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include/gromacs/types/commrec.h
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include/gromacs/types/constr.h
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include/gromacs/types/energy.h
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include/gromacs/types/enums.h
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include/gromacs/types/fcdata.h
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include/gromacs/types/filenm.h
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include/gromacs/types/forcerec.h
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include/gromacs/types/genborn.h
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include/gromacs/types/globsig.h
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include/gromacs/types/graph.h
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include/gromacs/types/group.h
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include/gromacs/types/idef.h
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include/gromacs/types/ifunc.h
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include/gromacs/types/inputrec.h
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include/gromacs/types/ishift.h
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include/gromacs/types/iteratedconstraints.h
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include/gromacs/types/matrix.h
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include/gromacs/types/mdatom.h
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include/gromacs/types/nblist.h
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include/gromacs/types/nlistheuristics.h
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include/gromacs/types/nrnb.h
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include/gromacs/types/ns.h
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include/gromacs/types/nsgrid.h
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include/gromacs/types/oenv.h
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include/gromacs/types/pbc.h
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include/gromacs/types/qmmmrec.h
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include/gromacs/types/shellfc.h
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include/gromacs/types/simple.h
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include/gromacs/types/state.h
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include/gromacs/types/symtab.h
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include/gromacs/types/topology.h
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include/gromacs/types/trx.h
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include/gromacs/update.h
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include/gromacs/vcm.h
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include/gromacs/vec.h
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include/gromacs/viewit.h
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include/gromacs/vmddlopen.h
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include/gromacs/vmdio.h
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include/gromacs/vmdplugin.h
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include/gromacs/vsite.h
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include/gromacs/warninp.h
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include/gromacs/wgms.h
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include/gromacs/wman.h
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include/gromacs/writeps.h
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include/gromacs/xdrf.h
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include/gromacs/xtcio.h
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include/gromacs/xvgr.h
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.a
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.la
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.so.6
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.a
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.la
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.so.6
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.a
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.la
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.so.6
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.a
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.la
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so
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lib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.so.6
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libdata/pkgconfig/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libgmxpreprocess%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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libdata/pkgconfig/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
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%%DATADIR%%/html/gmxfaq.html
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%%DATADIR%%/html/images/1ctf-0.2.jpg
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%%DATADIR%%/html/images/1ctf-0.5.jpg
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%%DATADIR%%/html/images/1ctf-0.jpg
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%%DATADIR%%/html/images/1ctf-1.jpg
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%%DATADIR%%/html/images/1ctf-10.jpg
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%%DATADIR%%/html/images/1ctf-4.jpg
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%%DATADIR%%/html/images/articles.gif
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%%DATADIR%%/html/images/bench.gif
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%%DATADIR%%/html/images/charts_down.gif
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%%DATADIR%%/html/images/charts_up.gif
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%%DATADIR%%/html/images/faq.gif
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%%DATADIR%%/html/images/features.gif
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%%DATADIR%%/html/images/flow_down.gif
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%%DATADIR%%/html/images/flow_downleft.gif
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%%DATADIR%%/html/images/flow_hline.gif
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%%DATADIR%%/html/images/flow_left.gif
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%%DATADIR%%/html/images/flow_leftright.gif
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%%DATADIR%%/html/images/flow_leftrightdown.gif
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%%DATADIR%%/html/images/flow_leftrightup.gif
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%%DATADIR%%/html/images/flow_leftup.gif
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%%DATADIR%%/html/images/flow_right+left.gif
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%%DATADIR%%/html/images/flow_right.gif
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%%DATADIR%%/html/images/flow_rightleftdown.gif
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%%DATADIR%%/html/images/flow_uprightleft.gif
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%%DATADIR%%/html/images/flow_vline.gif
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%%DATADIR%%/html/images/flow_vrule.gif
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%%DATADIR%%/html/images/gmxlogo_small.jpg
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%%DATADIR%%/html/images/links.gif
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%%DATADIR%%/html/images/mail.gif
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%%DATADIR%%/html/images/manual.gif
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%%DATADIR%%/html/images/plotje.gif
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%%DATADIR%%/html/images/software.gif
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%%DATADIR%%/html/images/topologies.gif
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%%DATADIR%%/html/images/xvgr.gif
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%%DATADIR%%/html/online.html
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%%DATADIR%%/html/online/cpt.html
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%%DATADIR%%/html/online/dat.html
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%%DATADIR%%/html/online/dlg.html
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%%DATADIR%%/html/online/do_dssp.html
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%%DATADIR%%/html/online/edi.html
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%%DATADIR%%/html/online/editconf.html
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%%DATADIR%%/html/online/edo.html
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%%DATADIR%%/html/online/edr.html
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%%DATADIR%%/html/online/ene.html
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%%DATADIR%%/html/online/eneconv.html
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%%DATADIR%%/html/online/eps.html
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%%DATADIR%%/html/online/files.html
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%%DATADIR%%/html/online/flow.html
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%%DATADIR%%/html/online/g87.html
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%%DATADIR%%/html/online/g96.html
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%%DATADIR%%/html/online/g_anaeig.html
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%%DATADIR%%/html/online/g_analyze.html
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%%DATADIR%%/html/online/g_angle.html
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%%DATADIR%%/html/online/g_bond.html
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%%DATADIR%%/html/online/g_bundle.html
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%%DATADIR%%/html/online/g_chi.html
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%%DATADIR%%/html/online/g_cluster.html
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%%DATADIR%%/html/online/g_confrms.html
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%%DATADIR%%/html/online/g_covar.html
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%%DATADIR%%/html/online/g_density.html
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%%DATADIR%%/html/online/g_densmap.html
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%%DATADIR%%/html/online/g_densorder.html
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%%DATADIR%%/html/online/g_dielectric.html
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%%DATADIR%%/html/online/g_dih.html
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%%DATADIR%%/html/online/g_dipoles.html
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%%DATADIR%%/html/online/g_disre.html
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%%DATADIR%%/html/online/g_dist.html
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%%DATADIR%%/html/online/g_dyndom.html
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%%DATADIR%%/html/online/g_enemat.html
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%%DATADIR%%/html/online/g_energy.html
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%%DATADIR%%/html/online/g_gyrate.html
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%%DATADIR%%/html/online/g_h2order.html
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%%DATADIR%%/html/online/g_hbond.html
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%%DATADIR%%/html/online/g_helix.html
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%%DATADIR%%/html/online/g_lie.html
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%%DATADIR%%/html/online/g_mdmat.html
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%%DATADIR%%/html/online/g_mindist.html
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%%DATADIR%%/html/online/g_morph.html
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%%DATADIR%%/html/online/g_msd.html
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%%DATADIR%%/html/online/g_nmeig.html
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%%DATADIR%%/html/online/g_nmens.html
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%%DATADIR%%/html/online/g_order.html
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%%DATADIR%%/html/online/g_potential.html
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%%DATADIR%%/html/online/g_rama.html
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%%DATADIR%%/html/online/g_rdf.html
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%%DATADIR%%/html/online/g_rms.html
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%%DATADIR%%/html/online/g_rmsdist.html
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%%DATADIR%%/html/online/g_rmsf.html
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%%DATADIR%%/html/online/g_rotacf.html
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|
|
%%DATADIR%%/top/charmm27.ff/rna.c.tdb
|
|
%%DATADIR%%/top/charmm27.ff/rna.arn
|
|
%%DATADIR%%/top/charmm27.ff/rna.r2b
|
|
%%DATADIR%%/top/charmm27.ff/rna.rtp
|
|
%%DATADIR%%/top/charmm27.ff/spc.itp
|
|
%%DATADIR%%/top/charmm27.ff/spce.itp
|
|
%%DATADIR%%/top/charmm27.ff/tip3p.itp
|
|
%%DATADIR%%/top/charmm27.ff/tip4p.itp
|
|
%%DATADIR%%/top/charmm27.ff/tip5p.itp
|
|
%%DATADIR%%/top/charmm27.ff/tips3p.itp
|
|
%%DATADIR%%/top/charmm27.ff/watermodels.dat
|
|
%%DATADIR%%/top/co-shift.dat
|
|
%%DATADIR%%/top/defselection.dat
|
|
%%DATADIR%%/top/dgsolv.dat
|
|
%%DATADIR%%/top/edissoc.dat
|
|
%%DATADIR%%/top/electroneg.dat
|
|
%%DATADIR%%/top/elements.dat
|
|
%%DATADIR%%/top/encads.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/encads.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/encads.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/encads.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/encads.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/encads.ff/atomtypes.atp
|
|
%%DATADIR%%/top/encads.ff/f3c.itp
|
|
%%DATADIR%%/top/encads.ff/ffbonded.itp
|
|
%%DATADIR%%/top/encads.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/encads.ff/forcefield.doc
|
|
%%DATADIR%%/top/encads.ff/forcefield.itp
|
|
%%DATADIR%%/top/encads.ff/watermodels.dat
|
|
%%DATADIR%%/top/encadv.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/encadv.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/encadv.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/encadv.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/encadv.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/encadv.ff/atomtypes.atp
|
|
%%DATADIR%%/top/encadv.ff/ffbonded.itp
|
|
%%DATADIR%%/top/encadv.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/encadv.ff/forcefield.doc
|
|
%%DATADIR%%/top/encadv.ff/forcefield.itp
|
|
%%DATADIR%%/top/encadv.ff/watermodels.dat
|
|
%%DATADIR%%/top/export.dlg
|
|
%%DATADIR%%/top/ffG43a1.itp
|
|
%%DATADIR%%/top/ffG43a2.itp
|
|
%%DATADIR%%/top/ffG45a3.itp
|
|
%%DATADIR%%/top/ffG53a5.itp
|
|
%%DATADIR%%/top/ffG53a6.itp
|
|
%%DATADIR%%/top/ffencads.itp
|
|
%%DATADIR%%/top/ffencadv.itp
|
|
%%DATADIR%%/top/ffgmx.itp
|
|
%%DATADIR%%/top/ffgmx2.itp
|
|
%%DATADIR%%/top/ffoplsaa-n.tst
|
|
%%DATADIR%%/top/ffoplsaa.itp
|
|
%%DATADIR%%/top/flexspc.itp
|
|
%%DATADIR%%/top/flexspce.itp
|
|
%%DATADIR%%/top/flexwat-ferguson.itp
|
|
%%DATADIR%%/top/gmx.ff/1mlg.itp
|
|
%%DATADIR%%/top/gmx.ff/2mlg.itp
|
|
%%DATADIR%%/top/gmx.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gmx.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gmx.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gmx.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gmx.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gmx.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gmx.ff/decane.itp
|
|
%%DATADIR%%/top/gmx.ff/decane50.gro
|
|
%%DATADIR%%/top/gmx.ff/dlg.itp
|
|
%%DATADIR%%/top/gmx.ff/fa.itp
|
|
%%DATADIR%%/top/gmx.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gmx.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gmx.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gmx.ff/forcefield.doc
|
|
%%DATADIR%%/top/gmx.ff/forcefield.itp
|
|
%%DATADIR%%/top/gmx.ff/h2p4o13.itp
|
|
%%DATADIR%%/top/gmx.ff/h2p8o25.itp
|
|
%%DATADIR%%/top/gmx.ff/h2po4.itp
|
|
%%DATADIR%%/top/gmx.ff/ions.itp
|
|
%%DATADIR%%/top/gmx.ff/spc.itp
|
|
%%DATADIR%%/top/gmx.ff/spce.itp
|
|
%%DATADIR%%/top/gmx.ff/tfe.itp
|
|
%%DATADIR%%/top/gmx.ff/tip3p.itp
|
|
%%DATADIR%%/top/gmx.ff/tip4p.itp
|
|
%%DATADIR%%/top/gmx.ff/watermodels.dat
|
|
%%DATADIR%%/top/gmx2.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gmx2.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gmx2.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gmx2.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gmx2.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gmx2.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gmx2.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gmx2.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gmx2.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gmx2.ff/forcefield.doc
|
|
%%DATADIR%%/top/gmx2.ff/forcefield.itp
|
|
%%DATADIR%%/top/gmx2.ff/ions.itp
|
|
%%DATADIR%%/top/gmx2.ff/spc.itp
|
|
%%DATADIR%%/top/gmx2.ff/spce.itp
|
|
%%DATADIR%%/top/gmx2.ff/tip3p.itp
|
|
%%DATADIR%%/top/gmx2.ff/tip4p.itp
|
|
%%DATADIR%%/top/gmx2.ff/watermodels.dat
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gromos43a1.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gromos43a1.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gromos43a1.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/forcefield.doc
|
|
%%DATADIR%%/top/gromos43a1.ff/forcefield.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/ions.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/methanol.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/methanol216.gro
|
|
%%DATADIR%%/top/gromos43a1.ff/spc.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/spce.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/tip3p.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/tip4p.itp
|
|
%%DATADIR%%/top/gromos43a1.ff/watermodels.dat
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gromos43a2.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gromos43a2.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gromos43a2.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/forcefield.doc
|
|
%%DATADIR%%/top/gromos43a2.ff/forcefield.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/ions.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/spc.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/spce.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/tip3p.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/tip4p.itp
|
|
%%DATADIR%%/top/gromos43a2.ff/watermodels.dat
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gromos45a3.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gromos45a3.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gromos45a3.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/forcefield.doc
|
|
%%DATADIR%%/top/gromos45a3.ff/forcefield.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/ions.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/spc.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/spce.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/tip3p.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/tip4p.itp
|
|
%%DATADIR%%/top/gromos45a3.ff/watermodels.dat
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gromos53a5.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gromos53a5.ff/atomname2type.n2t
|
|
%%DATADIR%%/top/gromos53a5.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gromos53a5.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/forcefield.doc
|
|
%%DATADIR%%/top/gromos53a5.ff/forcefield.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/ions.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/spc.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/spce.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/tip3p.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/tip4p.itp
|
|
%%DATADIR%%/top/gromos53a5.ff/watermodels.dat
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/gromos53a6.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/gromos53a6.ff/atomtypes.atp
|
|
%%DATADIR%%/top/gromos53a6.ff/ff_dum.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/ffbonded.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/forcefield.doc
|
|
%%DATADIR%%/top/gromos53a6.ff/forcefield.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/ions.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/spc.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/spce.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/tip3p.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/tip4p.itp
|
|
%%DATADIR%%/top/gromos53a6.ff/watermodels.dat
|
|
%%DATADIR%%/top/gurgle.dat
|
|
%%DATADIR%%/top/ha-shift.dat
|
|
%%DATADIR%%/top/highway.dat
|
|
%%DATADIR%%/top/ions.itp
|
|
%%DATADIR%%/top/links.dat
|
|
%%DATADIR%%/top/oplsaa.ff/1propanol.itp
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.c.tdb
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.hdb
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.n.tdb
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.r2b
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.rtp
|
|
%%DATADIR%%/top/oplsaa.ff/aminoacids.vsd
|
|
%%DATADIR%%/top/oplsaa.ff/atomname2type.n2t
|
|
%%DATADIR%%/top/oplsaa.ff/atomtypes.atp
|
|
%%DATADIR%%/top/oplsaa.ff/ethanol.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ffbonded.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ffnonbonded.itp
|
|
%%DATADIR%%/top/oplsaa.ff/forcefield.doc
|
|
%%DATADIR%%/top/oplsaa.ff/forcefield.itp
|
|
%%DATADIR%%/top/oplsaa.ff/gbsa.itp
|
|
%%DATADIR%%/top/oplsaa.ff/ions.itp
|
|
%%DATADIR%%/top/oplsaa.ff/methanol.itp
|
|
%%DATADIR%%/top/oplsaa.ff/spc.itp
|
|
%%DATADIR%%/top/oplsaa.ff/spce.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip3p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip4p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/tip5p.itp
|
|
%%DATADIR%%/top/oplsaa.ff/watermodels.dat
|
|
%%DATADIR%%/top/phbres.dat
|
|
%%DATADIR%%/top/ps.m2p
|
|
%%DATADIR%%/top/random.dat
|
|
%%DATADIR%%/top/refi_aa.dat
|
|
%%DATADIR%%/top/residuetypes.dat
|
|
%%DATADIR%%/top/sfactor.dat
|
|
%%DATADIR%%/top/spc.itp
|
|
%%DATADIR%%/top/spc216.gro
|
|
%%DATADIR%%/top/spce.itp
|
|
%%DATADIR%%/top/specbond.dat
|
|
%%DATADIR%%/top/ss.map
|
|
%%DATADIR%%/top/surface.dat
|
|
%%DATADIR%%/top/sw.itp
|
|
%%DATADIR%%/top/table6-10.xvg
|
|
%%DATADIR%%/top/table6-11.xvg
|
|
%%DATADIR%%/top/table6-12.xvg
|
|
%%DATADIR%%/top/table6-8.xvg
|
|
%%DATADIR%%/top/table6-9.xvg
|
|
%%DATADIR%%/top/tip3p.itp
|
|
%%DATADIR%%/top/tip4p.gro
|
|
%%DATADIR%%/top/tip4p.itp
|
|
%%DATADIR%%/top/tip5p.gro
|
|
%%DATADIR%%/top/vdwradii.dat
|
|
%%DATADIR%%/top/xlateat.dat
|
|
%%DATADIR%%/tutor/gmxdemo/cpeptide.pdb
|
|
%%DATADIR%%/tutor/gmxdemo/demo
|
|
%%DATADIR%%/tutor/methanol/conf.gro
|
|
%%DATADIR%%/tutor/methanol/grompp.mdp
|
|
%%DATADIR%%/tutor/methanol/index.ndx
|
|
%%DATADIR%%/tutor/methanol/methanol.itp
|
|
%%DATADIR%%/tutor/methanol/methanol.pdb
|
|
%%DATADIR%%/tutor/methanol/topol.top
|
|
%%DATADIR%%/tutor/mixed/conf.gro
|
|
%%DATADIR%%/tutor/mixed/grompp.mdp
|
|
%%DATADIR%%/tutor/mixed/index.ndx
|
|
%%DATADIR%%/tutor/mixed/mixed.pdb
|
|
%%DATADIR%%/tutor/mixed/topol.top
|
|
%%DATADIR%%/tutor/nmr1/conf.gro
|
|
%%DATADIR%%/tutor/nmr1/grompp.mdp
|
|
%%DATADIR%%/tutor/nmr1/pep.pdb
|
|
%%DATADIR%%/tutor/nmr1/topol.top
|
|
%%DATADIR%%/tutor/nmr2/conf.gro
|
|
%%DATADIR%%/tutor/nmr2/genconf.gcp
|
|
%%DATADIR%%/tutor/nmr2/grompp.mdp
|
|
%%DATADIR%%/tutor/nmr2/pep.pdb
|
|
%%DATADIR%%/tutor/nmr2/topol.top
|
|
%%DATADIR%%/tutor/speptide/em.mdp
|
|
%%DATADIR%%/tutor/speptide/full.mdp
|
|
%%DATADIR%%/tutor/speptide/pr.mdp
|
|
%%DATADIR%%/tutor/speptide/speptide.pdb
|
|
%%DATADIR%%/tutor/water/conf.gro
|
|
%%DATADIR%%/tutor/water/grompp.mdp
|
|
%%DATADIR%%/tutor/water/index.ndx
|
|
%%DATADIR%%/tutor/water/spc216.pdb
|
|
%%DATADIR%%/tutor/water/topol.top
|
|
@dirrm %%DATADIR%%/tutor/water
|
|
@dirrm %%DATADIR%%/tutor/speptide
|
|
@dirrm %%DATADIR%%/tutor/nmr2
|
|
@dirrm %%DATADIR%%/tutor/nmr1
|
|
@dirrm %%DATADIR%%/tutor/mixed
|
|
@dirrm %%DATADIR%%/tutor/methanol
|
|
@dirrm %%DATADIR%%/tutor/gmxdemo
|
|
@dirrm %%DATADIR%%/tutor
|
|
@dirrm %%DATADIR%%/top/oplsaa.ff
|
|
@dirrm %%DATADIR%%/top/gromos53a6.ff
|
|
@dirrm %%DATADIR%%/top/gromos53a5.ff
|
|
@dirrm %%DATADIR%%/top/gromos45a3.ff
|
|
@dirrm %%DATADIR%%/top/gromos43a2.ff
|
|
@dirrm %%DATADIR%%/top/gromos43a1.ff
|
|
@dirrm %%DATADIR%%/top/gmx2.ff
|
|
@dirrm %%DATADIR%%/top/gmx.ff
|
|
@dirrm %%DATADIR%%/top/encadv.ff
|
|
@dirrm %%DATADIR%%/top/encads.ff
|
|
@dirrm %%DATADIR%%/top/charmm27.ff
|
|
@dirrm %%DATADIR%%/top/amberGS.ff
|
|
@dirrm %%DATADIR%%/top/amber99sb.ff
|
|
@dirrm %%DATADIR%%/top/amber99sb-ildn.ff
|
|
@dirrm %%DATADIR%%/top/amber99.ff
|
|
@dirrm %%DATADIR%%/top/amber96.ff
|
|
@dirrm %%DATADIR%%/top/amber94.ff
|
|
@dirrm %%DATADIR%%/top/amber03.ff
|
|
@dirrm %%DATADIR%%/top
|
|
@dirrm %%DATADIR%%/template
|
|
@dirrm %%DATADIR%%/html/online
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|
@dirrm %%DATADIR%%/html/images
|
|
@dirrm %%DATADIR%%/html
|
|
@dirrm %%DATADIR%%
|
|
@dirrm include/gromacs/types
|
|
@dirrm include/gromacs/thread_mpi/atomic
|
|
@dirrm include/gromacs/thread_mpi
|
|
@dirrm include/gromacs
|