mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-27 05:10:36 +00:00
616 lines
22 KiB
Plaintext
616 lines
22 KiB
Plaintext
bin/alchemy
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bin/analyze
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bin/anneal
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bin/archive
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bin/bar
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bin/correlate
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bin/crystal
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bin/diffuse
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bin/distgeom
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bin/document
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bin/dynamic
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bin/gda
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bin/intedit
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bin/intxyz
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bin/minimize
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bin/minirot
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bin/minrigid
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bin/molxyz
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bin/monte
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bin/newton
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bin/newtrot
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bin/nucleic
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bin/optimize
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bin/optirot
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bin/optrigid
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bin/path
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bin/pdbxyz
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bin/polarize
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bin/poledit
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bin/potential
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bin/prmedit
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bin/protein
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bin/pss
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bin/pssrigid
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bin/pssrot
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bin/radial
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bin/saddle
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bin/scan
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bin/sniffer
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bin/spacefill
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bin/spectrum
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bin/superpose
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bin/sybylxyz
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bin/testgrad
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bin/testhess
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bin/testpair
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bin/testpol
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bin/testrot
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bin/timer
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bin/timerot
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bin/torsfit
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bin/valence
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bin/vibbig
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bin/vibrate
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bin/vibrot
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bin/xtalfit
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bin/xtalmin
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bin/xyzedit
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bin/xyzint
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bin/xyzpdb
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bin/xyzsybyl
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%%PORTDOCS%%%%DOCSDIR%%/0README
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%%PORTDOCS%%%%DOCSDIR%%/ffe-guide.pdf
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%%PORTDOCS%%%%DOCSDIR%%/guide.pdf
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%%PORTDOCS%%%%DOCSDIR%%/license.pdf
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%%PORTDOCS%%%%DOCSDIR%%/license.txt
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%%PORTDOCS%%%%DOCSDIR%%/summary.pdf
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%%PORTDOCS%%%%DOCSDIR%%/summary.txt
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/0README
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alatet.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alatet.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alatet.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alatet.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alkane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alkane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ammonia.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ammonia.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/amoeba.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/amoeba.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/arach.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/arach.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/arach.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/azulene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/azulene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/azulene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.make
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bdna.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bearing.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bearing.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bearing2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzamidine.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzamidine.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzbox.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzbox.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/benzene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/book.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/book.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl3.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bowl3.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bucky.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bucky.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bucky.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane2.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butanes.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butanes.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butanes.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butanex.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butanex.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls2.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butopls2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c5.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c5.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c5.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c5.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7a.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7a.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7a.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7a.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7e.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7e.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7e.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/c7e.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cage.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cage.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/calmodulin.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/calmodulin.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/calmodulin.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/calmodulin.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cawater.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cawater.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cln025.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cln025.make
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cln025.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cln025.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cln025.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/copper.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/copper.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cpentene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cpentene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambin.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambin.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambin.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambin.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambin.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambinx.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crambinx.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crown.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crown.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/crown.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cychept.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cychept.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cychept.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo2.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cyclo2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cycprop.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/cycprop.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dang.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dang.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/deltorphin.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/deltorphin.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/deltorphin.make
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/deltorphin.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/deltorphin.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr2.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dhfr2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/diamond.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/diamond.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/diene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/diene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/diene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dimethane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dimethane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dmp.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dmp.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/enkephalin.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/enkephalin.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/enkephalin.make
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/enkephalin.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/enkephalin.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ermer.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ermer.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ermer.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ester.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ester.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethanol.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethanol.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethanol.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ether.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ether.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/etherbox.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/etherbox.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/etherbox.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethylene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethylene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ethylene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/flane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/flane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/flane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/form.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/form.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formbig.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formbig.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formbox.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formbox.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formbox.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formopls.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formopls.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/formopls.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/furan.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/furan.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/furan.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/glucose.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/glucose.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/glycerol.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/glycerol.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/glycerol.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/graphite.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/graphite.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/helix.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/helix.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/helix.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/heme.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/heme.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/hexanes.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/iamoeba.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imidazole.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imine.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imine.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/imine.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/indole.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/indole.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lactam.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lactam.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lipid.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lipid.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lj38.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/lj38.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/melittin.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/melittin.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/melittin.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/melittin.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/membrane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/membrane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/meohbox.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/meohbox.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methanol.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methanol.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/mgwater.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/mgwater.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/mm3.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/mm3.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nacl.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nacl.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nada.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nada.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthalene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthalene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthalene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthax.frac
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthax.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/naphthax.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nitrile.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nitrile.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nitrogen.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nitrogen.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nitrogen.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nma.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nma.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nma.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nmabox.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nmabox.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nmabox.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nmf.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nmf.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nstilbene.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nstilbene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/nstilbene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane2.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane2.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octane2.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octene.dyn
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octene.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/octene.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/palmitate.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/palmitate.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/palmitate.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pentane.frac
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pentane.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pentane.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.int
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.make
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.pdb
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.seq
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/peptide.xyz
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/phenanth.key
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%%PORTEXAMPLES%%%%EXAMPLESDIR%%/phenanth.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/photo.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/photo.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/photo.seq
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/photo.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pol3.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pol3.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/polyala.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/polyala.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/prism.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/prism.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propane.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propane.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propellane.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propellane.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propellane.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propyne.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/propyne.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyridine.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyridine.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyridine.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/pyrrole.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/retinoic.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ring.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/skunk.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/spc.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/spc.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/sterol.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/sterol.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/styrene.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/styrene.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/styrene.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/terphenyl.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/terphenyl.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tfe.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tfe.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiadiene.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiadiene.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiadiene.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiophene.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiophene.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thiophene.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thr.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thr.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/thr.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip3f.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip3f.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip3p.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip3p.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip4f.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip4f.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip4p.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip4p.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip5p.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/tip5p.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/trpcage.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/trpcage.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/trpcage.seq
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/trpcage.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin.seq
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin2.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin2.seq
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/ubiquitin2.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/urea.frac
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/urea.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/urea.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterball.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterball.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterbig.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterbig.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterbox.dyn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterbox.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterbox.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterdot.dyn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterdot.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterdot.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterglobe.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterglobe.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterhuge.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterhuge.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterslab.dyn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterslab.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/waterslab.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watersmall.dyn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watersmall.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watersmall.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watertiny.dyn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watertiny.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/watertiny.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.int
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.key
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/white.xyz
|
|
%%DATADIR%%/bench/0README
|
|
%%DATADIR%%/bench/bench1.key
|
|
%%DATADIR%%/bench/bench1.run
|
|
%%DATADIR%%/bench/bench1.xyz
|
|
%%DATADIR%%/bench/bench2.key
|
|
%%DATADIR%%/bench/bench2.run
|
|
%%DATADIR%%/bench/bench2.xyz
|
|
%%DATADIR%%/bench/bench3.key
|
|
%%DATADIR%%/bench/bench3.run
|
|
%%DATADIR%%/bench/bench3.xyz
|
|
%%DATADIR%%/bench/bench4.dyn0
|
|
%%DATADIR%%/bench/bench4.key
|
|
%%DATADIR%%/bench/bench4.log
|
|
%%DATADIR%%/bench/bench4.run
|
|
%%DATADIR%%/bench/bench4.xyz
|
|
%%DATADIR%%/bench/bench5.dyn0
|
|
%%DATADIR%%/bench/bench5.key
|
|
%%DATADIR%%/bench/bench5.log
|
|
%%DATADIR%%/bench/bench5.run
|
|
%%DATADIR%%/bench/bench5.xyz
|
|
%%DATADIR%%/bench/bench6.key
|
|
%%DATADIR%%/bench/bench6.log
|
|
%%DATADIR%%/bench/bench6.run
|
|
%%DATADIR%%/bench/bench6.xyz
|
|
%%DATADIR%%/bench/bench7.key
|
|
%%DATADIR%%/bench/bench7.log
|
|
%%DATADIR%%/bench/bench7.run
|
|
%%DATADIR%%/bench/bench7.xyz
|
|
%%DATADIR%%/bench/results-2.3
|
|
%%DATADIR%%/bench/results-2.4
|
|
%%DATADIR%%/bench/results-2.9
|
|
%%DATADIR%%/bench/results-3.1
|
|
%%DATADIR%%/bench/results-3.2
|
|
%%DATADIR%%/bench/results-3.4
|
|
%%DATADIR%%/bench/results-3.5
|
|
%%DATADIR%%/bench/results-3.7
|
|
%%DATADIR%%/bench/results-3.8
|
|
%%DATADIR%%/bench/results-3.9
|
|
%%DATADIR%%/bench/results-4.0
|
|
%%DATADIR%%/bench/results-4.1
|
|
%%DATADIR%%/bench/results-4.2
|
|
%%DATADIR%%/bench/results-4.3
|
|
%%DATADIR%%/bench/results-5.0
|
|
%%DATADIR%%/bench/results-5.1
|
|
%%DATADIR%%/bench/results-6.0
|
|
%%DATADIR%%/bench/results-6.2
|
|
%%DATADIR%%/params/0README
|
|
%%DATADIR%%/params/amber94.prm
|
|
%%DATADIR%%/params/amber96.prm
|
|
%%DATADIR%%/params/amber98.prm
|
|
%%DATADIR%%/params/amber99.prm
|
|
%%DATADIR%%/params/amber99sb.prm
|
|
%%DATADIR%%/params/amoeba04.prm
|
|
%%DATADIR%%/params/amoeba09.prm
|
|
%%DATADIR%%/params/amoebabio09.prm
|
|
%%DATADIR%%/params/amoebapro04.prm
|
|
%%DATADIR%%/params/amoebapro13.prm
|
|
%%DATADIR%%/params/charmm19.prm
|
|
%%DATADIR%%/params/charmm22.prm
|
|
%%DATADIR%%/params/charmm22cmap.prm
|
|
%%DATADIR%%/params/dang.prm
|
|
%%DATADIR%%/params/hoch.prm
|
|
%%DATADIR%%/params/iwater.prm
|
|
%%DATADIR%%/params/mm2.prm
|
|
%%DATADIR%%/params/mm3.prm
|
|
%%DATADIR%%/params/mm3pro.prm
|
|
%%DATADIR%%/params/mmff.prm
|
|
%%DATADIR%%/params/oplsaa.prm
|
|
%%DATADIR%%/params/oplsaal.prm
|
|
%%DATADIR%%/params/oplsua.prm
|
|
%%DATADIR%%/params/smoothaa.prm
|
|
%%DATADIR%%/params/smoothua.prm
|
|
%%DATADIR%%/params/tiny.prm
|
|
%%DATADIR%%/params/water.prm
|
|
%%DATADIR%%/test/0README
|
|
%%DATADIR%%/test/anion.dat
|
|
%%DATADIR%%/test/anion.dyn0
|
|
%%DATADIR%%/test/anion.key
|
|
%%DATADIR%%/test/anion.log
|
|
%%DATADIR%%/test/anion.run
|
|
%%DATADIR%%/test/anion.xyz
|
|
%%DATADIR%%/test/argon.1st
|
|
%%DATADIR%%/test/argon.key
|
|
%%DATADIR%%/test/argon.log
|
|
%%DATADIR%%/test/argon.run
|
|
%%DATADIR%%/test/cluster.dat
|
|
%%DATADIR%%/test/cluster.key
|
|
%%DATADIR%%/test/cluster.log
|
|
%%DATADIR%%/test/cluster.run
|
|
%%DATADIR%%/test/cluster.xyz
|
|
%%DATADIR%%/test/crambin.key
|
|
%%DATADIR%%/test/crambin.log
|
|
%%DATADIR%%/test/crambin.pdb
|
|
%%DATADIR%%/test/crambin.run
|
|
%%DATADIR%%/test/cyclohex.boat
|
|
%%DATADIR%%/test/cyclohex.chair
|
|
%%DATADIR%%/test/cyclohex.key
|
|
%%DATADIR%%/test/cyclohex.log
|
|
%%DATADIR%%/test/cyclohex.run
|
|
%%DATADIR%%/test/dhfr.dyn
|
|
%%DATADIR%%/test/dhfr.key
|
|
%%DATADIR%%/test/dhfr.log
|
|
%%DATADIR%%/test/dhfr.run
|
|
%%DATADIR%%/test/dhfr.xyz
|
|
%%DATADIR%%/test/dialanine.key
|
|
%%DATADIR%%/test/dialanine.log
|
|
%%DATADIR%%/test/dialanine.run
|
|
%%DATADIR%%/test/dialanine.xyz
|
|
%%DATADIR%%/test/enkephalin.dat
|
|
%%DATADIR%%/test/enkephalin.key
|
|
%%DATADIR%%/test/enkephalin.log
|
|
%%DATADIR%%/test/enkephalin.run
|
|
%%DATADIR%%/test/ethanol.000
|
|
%%DATADIR%%/test/ethanol.020
|
|
%%DATADIR%%/test/ethanol.040
|
|
%%DATADIR%%/test/ethanol.060
|
|
%%DATADIR%%/test/ethanol.080
|
|
%%DATADIR%%/test/ethanol.100
|
|
%%DATADIR%%/test/ethanol.120
|
|
%%DATADIR%%/test/ethanol.140
|
|
%%DATADIR%%/test/ethanol.160
|
|
%%DATADIR%%/test/ethanol.180
|
|
%%DATADIR%%/test/ethanol.dat
|
|
%%DATADIR%%/test/ethanol.key
|
|
%%DATADIR%%/test/ethanol.log
|
|
%%DATADIR%%/test/ethanol.run
|
|
%%DATADIR%%/test/ethanol.xyz
|
|
%%DATADIR%%/test/formamide.cell
|
|
%%DATADIR%%/test/formamide.dat
|
|
%%DATADIR%%/test/formamide.key
|
|
%%DATADIR%%/test/formamide.log
|
|
%%DATADIR%%/test/formamide.run
|
|
%%DATADIR%%/test/gpcr.blk
|
|
%%DATADIR%%/test/gpcr.key
|
|
%%DATADIR%%/test/gpcr.log
|
|
%%DATADIR%%/test/gpcr.run
|
|
%%DATADIR%%/test/gpcr.xyz
|
|
%%DATADIR%%/test/helix.1st
|
|
%%DATADIR%%/test/helix.key
|
|
%%DATADIR%%/test/helix.log
|
|
%%DATADIR%%/test/helix.run
|
|
%%DATADIR%%/test/ice.key
|
|
%%DATADIR%%/test/ice.log
|
|
%%DATADIR%%/test/ice.run
|
|
%%DATADIR%%/test/ice.xyz
|
|
%%DATADIR%%/test/ifabp.dat
|
|
%%DATADIR%%/test/ifabp.key
|
|
%%DATADIR%%/test/ifabp.log
|
|
%%DATADIR%%/test/ifabp.run
|
|
%%DATADIR%%/test/ifabp.xyz
|
|
%%DATADIR%%/test/salt.cell
|
|
%%DATADIR%%/test/salt.key
|
|
%%DATADIR%%/test/salt.log
|
|
%%DATADIR%%/test/salt.run
|
|
%%DATADIR%%/test/tetraala.dat
|
|
%%DATADIR%%/test/tetraala.key
|
|
%%DATADIR%%/test/tetraala.log
|
|
%%DATADIR%%/test/tetraala.run
|
|
%%DATADIR%%/test/water.key
|
|
%%DATADIR%%/test/water.log
|
|
%%DATADIR%%/test/water.pot
|
|
%%DATADIR%%/test/water.run
|
|
%%DATADIR%%/test/water.xyz
|
|
%%DATADIR%%/tinker.txt
|
|
@dirrm %%DATADIR%%/test
|
|
@dirrm %%DATADIR%%/params
|
|
@dirrm %%DATADIR%%/bench
|
|
@dirrm %%DATADIR%%
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%
|
|
%%PORTDOCS%%@dirrm %%DOCSDIR%%
|