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