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bin/alchemy
bin/analyze
bin/anneal
bin/arcedit
bin/bar
bin/correlate
bin/critical
bin/crystal
bin/diffuse
bin/distgeom
bin/document
bin/dynamic
bin/freefix
bin/gda
bin/intedit
bin/intxyz
bin/minimize
bin/minirot
bin/minrigid
bin/mol2xyz
bin/molxyz
bin/monte
bin/newton
bin/newtrot
bin/nucleic
bin/optimize
bin/optirot
bin/optrigid
bin/path
bin/pdbxyz
bin/polarize
bin/poledit
bin/potential
bin/prmedit
bin/protein
bin/pss
bin/pssrigid
bin/pssrot
bin/radial
bin/saddle
bin/scan
bin/sniffer
bin/spacefill
bin/spectrum
bin/superpose
bin/testgrad
bin/testhess
bin/testpair
bin/testpol
bin/testrot
bin/testsurf
bin/testvir
bin/timer
bin/timerot
bin/torsfit
bin/valence
bin/vibbig
bin/vibrate
bin/vibrot
bin/xtalfit
bin/xtalmin
bin/xyzedit
bin/xyzint
bin/xyzmol2
bin/xyzpdb
%%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/amoebabio18-hfc23.prm
%%DATADIR%%/params/amoebabio18.prm
%%DATADIR%%/params/amoebail22.prm
%%DATADIR%%/params/amoebanuc17.prm
%%DATADIR%%/params/amoebaplus.prm
%%DATADIR%%/params/amoebapro04.prm
%%DATADIR%%/params/amoebapro13.prm
%%DATADIR%%/params/basic.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/uwater.prm
%%DATADIR%%/params/water03.prm
%%DATADIR%%/params/water14.prm
%%DATADIR%%/params/water21.prm
%%DATADIR%%/params/water22.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/cation.ckey
%%DATADIR%%/test/cation.cxyz
%%DATADIR%%/test/cation.log
%%DATADIR%%/test/cation.rkey
%%DATADIR%%/test/cation.run
%%DATADIR%%/test/cation.rxyz
%%DATADIR%%/test/clean.make
%%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/cyclohexane.boat
%%DATADIR%%/test/cyclohexane.chair
%%DATADIR%%/test/cyclohexane.key
%%DATADIR%%/test/cyclohexane.log
%%DATADIR%%/test/cyclohexane.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/liquid.amoeba
%%DATADIR%%/test/liquid.aplus
%%DATADIR%%/test/liquid.hippo
%%DATADIR%%/test/liquid.kamoeba
%%DATADIR%%/test/liquid.kaplus
%%DATADIR%%/test/liquid.khippo
%%DATADIR%%/test/liquid.log
%%DATADIR%%/test/liquid.run
%%DATADIR%%/test/methanol.dat
%%DATADIR%%/test/methanol.dma
%%DATADIR%%/test/methanol.key
%%DATADIR%%/test/methanol.log
%%DATADIR%%/test/methanol.run
%%DATADIR%%/test/nitrogen.arc
%%DATADIR%%/test/nitrogen.key
%%DATADIR%%/test/nitrogen.log
%%DATADIR%%/test/nitrogen.run
%%DATADIR%%/test/nitrogen.xyz
%%DATADIR%%/test/polyala.dat
%%DATADIR%%/test/polyala.key
%%DATADIR%%/test/polyala.log
%%DATADIR%%/test/polyala.run
%%DATADIR%%/test/salt.cell
%%DATADIR%%/test/salt.key
%%DATADIR%%/test/salt.log
%%DATADIR%%/test/salt.run
%%DATADIR%%/test/vasopressin.key
%%DATADIR%%/test/vasopressin.log
%%DATADIR%%/test/vasopressin.run
%%DATADIR%%/test/vasopressin.xyz
%%DATADIR%%/test/water.amoeba
%%DATADIR%%/test/water.hippo
%%DATADIR%%/test/water.log
%%DATADIR%%/test/water.pot
%%DATADIR%%/test/water.run
%%DATADIR%%/test/water.tip3p
%%DATADIR%%/test/water.xyz