4153f3e96b
- trim historical header - fix mixture of DOCS/EXAMPLES -> EXAMPLES - add shared description for GLUT to bodm Approved by: portmgr (miwi)
128 lines
7.4 KiB
Text
128 lines
7.4 KiB
Text
bin/coords2coords
|
|
bin/coulomb
|
|
bin/dcd2dcd
|
|
bin/iSGProtomol
|
|
bin/protomol
|
|
bin/xyzviz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/coulomb_309/309ca.config
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/coulomb_309/309ca.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/coulomb_309/309ca.pos.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/coulomb_309/309ca.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.equil.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.7ns.namd
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.equil.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/ala607.pgn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.namd
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_water_184x/alanine.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.lf.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.npt.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/argon_400/argon.vel.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.hmc.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.lf.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_1101/bpti.shmc.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.shake.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.ewald.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.mg.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.namd
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.pbc.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/bpti_water_14281/bpti.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/runButaneTests.sh
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/README
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.dhmc.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.hmc.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.lf.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/UA_butane.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/angleSetDHMC
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/cleanOutput.bash
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/dihedralSetDHMC
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/procDihedralFile.awk
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/butane_4/runButaneResults.sh
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equil.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equil.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equilibrated.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/alanine_dipeptide_23/ala_equilibrated.pgn
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/dihedralIndexSet
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.BSplineMOLLY.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.Equilibrium.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.LF.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.LFwDihedralOut.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.PLF.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.Shake.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.testSet
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.water.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/decalanine_66/alanine.water.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/electrons_22/22el.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/electrons_22/22el.pos.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/electrons_22/22el.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/electrons_22/22el.vel.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/electrons_22/el.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/iSGMD_README
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane.trans
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.coor.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.vel.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_100_Pure_Trappe.xsc
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.coor.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.vel.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/methane_ethane_xxx/ethane_methane_300_Pure_Trappe.xsc
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/test.tcsh
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/README
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/hmc.Bsp_PME.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/hmc.std.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/lf.Ewald.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/lf.MG.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/lf.PME.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/lf.std.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/lf.std.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/shmc.Bsp_PME.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/shmc.std.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/testset/slf.std.pb.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.vel.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.coor.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.new.pos.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.new.vel.pdb
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_216/water216.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.tip3.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.fluid.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.fluid.pos.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.ice.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.ice.nvt.conf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.ice.pos.xyz
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.spce.par
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.spce.psf
|
|
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/water_648/water648.tip3.par
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/coulomb_309
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/alanine_dipeptide_water_184x
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/argon_400
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/bpti_water_1101
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/bpti_water_14281
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/butane_4
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/alanine_dipeptide_23
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/decalanine_66
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/electrons_22
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/methane_ethane_xxx
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/testset
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/water_216
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/water_648
|
|
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%
|