diff options
author | Jason Helfman <jgh@FreeBSD.org> | 2013-03-18 06:54:39 +0000 |
---|---|---|
committer | Jason Helfman <jgh@FreeBSD.org> | 2013-03-18 06:54:39 +0000 |
commit | 4153f3e96b9ed9f7defd4e0d8c02bc3d6dd051aa (patch) | |
tree | c5e08e5d27cc488f01f807a98f4cc41ffe551ea4 /biology/protomol | |
parent | 21ff3eb3b79b9d1d452ce762f8b1e01cd8e8a6ad (diff) | |
download | ports-4153f3e96b9ed9f7defd4e0d8c02bc3d6dd051aa.tar.gz ports-4153f3e96b9ed9f7defd4e0d8c02bc3d6dd051aa.zip |
Notes
Diffstat (limited to 'biology/protomol')
-rw-r--r-- | biology/protomol/Makefile | 15 | ||||
-rw-r--r-- | biology/protomol/pkg-plist | 244 |
2 files changed, 129 insertions, 130 deletions
diff --git a/biology/protomol/Makefile b/biology/protomol/Makefile index 588ce97129d2..3fe7f97fff3d 100644 --- a/biology/protomol/Makefile +++ b/biology/protomol/Makefile @@ -1,7 +1,4 @@ -# New ports collection makefile for: protomol -# Date created: 5 May 2006 -# Whom: Sangwoo Shim <sangwoos@gmail.com> -# +# Created by: Sangwoo Shim <sangwoos@gmail.com> # $FreeBSD$ PORTNAME= protomol @@ -10,7 +7,7 @@ PORTREVISION= 8 CATEGORIES= biology MASTER_SITES= SF/${PORTNAME}/ProtoMol/${PORTVERSION} DISTNAME= ${PORTNAME}-${PORTVERSION}-tar.gz -EXTRACT_SUFX= # nada +EXTRACT_SUFX= # empty MAINTAINER= sangwoos@gmail.com COMMENT= OO, component based, framework for molecular dynamics (MD) simulations @@ -30,18 +27,20 @@ CXXFLAGS+= -L${LOCALBASE}/lib WRKSRC= ${WRKDIR}/${PORTNAME} -OPTIONS= GLUT "Use glut" on +OPTIONS_DEFINE= GLUT +OPTIONS_DEFAULT= GLUT .include <bsd.port.pre.mk> +.include <bsd.port.options.mk> -.if defined(WITH_GLUT) +.if ${PORT_OPTIONS:MGLUT} CONFIGURE_ARGS+= --with-glut=yes USE_GL= glut .else CONFIGURE_ARGS+= --with-glut=no .endif -.if !defined(NOPORTDOCS) +.if ${PORT_OPTIONS:MEXAMPLES} post-install: @${MKDIR} ${EXAMPLESDIR} cd ${WRKSRC}/examples && ${FIND} . | ${EGREP} -v '\.cvsignore' | \ diff --git a/biology/protomol/pkg-plist b/biology/protomol/pkg-plist index 1823d8daeb80..fffcf8e5e98e 100644 --- a/biology/protomol/pkg-plist +++ b/biology/protomol/pkg-plist @@ -4,125 +4,125 @@ 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%% +%%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%% |