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a7c4f78588
freebsd-ports/biology/protomol/pkg-plist
Emanuel Haupt dfc2535ebe Add protomol 2.0.3, OO, component based, framework for molecular 
dynamics (MD) simulations.

PR:		95123
Submitted by:	Sangwoo Shim <sangwoos@gmail.com>
2006-05-05 20:09:54 +00:00

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bin/coords2coords
bin/coulomb
bin/dcd2dcd
bin/iSGProtomol
bin/protomol
bin/xyzviz
%%PORTDOCS%%%%EXAMPLESDIR%%/coulomb_309/309ca.config
%%PORTDOCS%%%%EXAMPLESDIR%%/coulomb_309/309ca.par
%%PORTDOCS%%%%EXAMPLESDIR%%/coulomb_309/309ca.pos.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/coulomb_309/309ca.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.equil.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.7ns.namd
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.equil.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/ala607.pgn
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.namd
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.par
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.lf.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.npt.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/argon_400/argon.vel.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.par
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.hmc.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.lf.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.shmc.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.shake.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.ewald.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.mg.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.namd
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.par
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.pbc.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/runButaneTests.sh
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/README
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.dhmc.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.hmc.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.lf.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.par
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/UA_butane.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/angleSetDHMC
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/cleanOutput.bash
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/dihedralSetDHMC
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/procDihedralFile.awk
%%PORTDOCS%%%%EXAMPLESDIR%%/butane_4/runButaneResults.sh
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equil.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equil.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equilibrated.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equilibrated.pgn
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/dihedralIndexSet
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.BSplineMOLLY.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.Equilibrium.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.LF.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.LFwDihedralOut.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.PLF.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.Shake.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.par
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.testSet
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.water.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/decalanine_66/alanine.water.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/electrons_22/22el.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/electrons_22/22el.pos.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/electrons_22/22el.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/electrons_22/22el.vel.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/electrons_22/el.par
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/iSGMD_README
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane.par
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane.trans
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.coor.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.vel.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.xsc
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.coor.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.vel.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.xsc
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/test.tcsh
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/README
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/hmc.Bsp_PME.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/hmc.std.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/lf.Ewald.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/lf.MG.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/lf.PME.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/lf.std.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/lf.std.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/shmc.Bsp_PME.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/shmc.std.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/testset/slf.std.pb.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.vel.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.coor.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.new.pos.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.new.vel.pdb
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.par
%%PORTDOCS%%%%EXAMPLESDIR%%/water_216/water216.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.tip3.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.fluid.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.fluid.pos.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.ice.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.ice.nvt.conf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.ice.pos.xyz
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.spce.par
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.spce.psf
%%PORTDOCS%%%%EXAMPLESDIR%%/water_648/water648.tip3.par
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/coulomb_309
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/alanine_dipeptide_water_184x
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/argon_400
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/bpti_water_1101
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/bpti_water_14281
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/butane_4
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/alanine_dipeptide_23
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/decalanine_66
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/electrons_22
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/methane_ethane_xxx
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/testset
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/water_216
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/water_648
%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%
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