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Date:      Tue, 31 Aug 2004 16:40:33 -0500 (CDT)
From:      Stephen Montgomery-Smith <stephen@cauchy.math.missouri.edu>
To:        FreeBSD-gnats-submit@FreeBSD.org
Subject:   ports/71211: New port science/gromacs
Message-ID:  <200408312140.i7VLeXGn037700@cauchy.math.missouri.edu>
Resent-Message-ID: <200408312150.i7VLoQ1W020652@freefall.freebsd.org>

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>Number:         71211
>Category:       ports
>Synopsis:       New port science/gromacs
>Confidential:   no
>Severity:       non-critical
>Priority:       low
>Responsible:    freebsd-ports-bugs
>State:          open
>Quarter:        
>Keywords:       
>Date-Required:
>Class:          change-request
>Submitter-Id:   current-users
>Arrival-Date:   Tue Aug 31 21:50:26 GMT 2004
>Closed-Date:
>Last-Modified:
>Originator:     Stephen Montgomery-Smith
>Release:        FreeBSD 4.10-STABLE i386
>Organization:
>Environment:
System: FreeBSD cauchy 4.10-STABLE FreeBSD 4.10-STABLE #0: Thu Aug 26 21:23:59 CDT 2004 stephen@cauchy:/usr/src-copy/sys/compile/gx270 i386


	
>Description:
New port science/gromacs
>How-To-Repeat:
	
>Fix:

# This is a shell archive.  Save it in a file, remove anything before
# this line, and then unpack it by entering "sh file".  Note, it may
# create directories; files and directories will be owned by you and
# have default permissions.
#
# This archive contains:
#
#	gromacs
#	gromacs/Makefile
#	gromacs/distinfo
#	gromacs/pkg-descr
#	gromacs/pkg-plist
#
echo c - gromacs
mkdir -p gromacs > /dev/null 2>&1
echo x - gromacs/Makefile
sed 's/^X//' >gromacs/Makefile << 'END-of-gromacs/Makefile'
X# New ports collection makefile for: gromacs
X# Date created:		August 28 2004
X# Whom:			Stephen Montgomery-Smith <stephen@math.missouri.edu>
X#
X# $FreeBSD: $
X#
X
XPORTNAME=	gromacs
XPORTVERSION=	3.2.1
XCATEGORIES=	science
XMASTER_SITES=	ftp://ftp.gromacs.org/pub/gromacs/
X
XMAINTAINER=	stephen@math.missouri.edu
XCOMMENT=	Compute molecular dynamics
X
X.ifndef WITHOUT_FFTW
XLIB_DEPENDS=	fftw:${PORTSDIR}/math/fftw:install
X.endif
X.ifdef WITH_MPI
XBUILD_DEPENDS=	${LOCALPREFIX}/mpich/bin/mpicc:${PORTSDIR}/net/mpich:install
XRUN_DEPENDS=	${LOCALPREFIX}/mpich/bin/mpicc:${PORTSDIR}/net/mpich:install
X.endif
X
XUSE_GMAKE=	yes
XGNU_CONFIGURE=	yes
XCONFIGURE_TARGET=	--build=${MACHINE_ARCH}-portbld-freebsd${OSREL}
XCONFIGURE_ENV=	CPPFLAGS=-I${PREFIX}/include LDFLAGS=-L${PREFIX}/lib
XCONFIGURE_ARGS=	--exec-prefix=${PREFIX}
X
XPLIST_SUB=	BUILD=${MACHINE_ARCH}-portbld-freebsd${OSREL}
X
X.ifndef WITHOUT_FFTW
X.ifdef WITH_FLOAT
XIGNORE= 	Cannot currently build with fftw and single precision floating point
X.elifdef WITH_MPI
XIGNORE= 	Cannot currently build with fftw and mpi support
X.endif
X.endif
X
X.ifdef WITHOUT_X
XPLIST_SUB+=	WITHOUT_X="@comment "
XCONFIGURE_ARGS+=	--without-x
X.else
XPLIST_SUB+=	WITHOUT_X=
XCONFIGURE_ARGS+=	--with-x
XUSE_XLIB=	yes
X.endif
X
X.ifndef WITH_FLOAT
XCONFIGURE_ARGS+=	--disable-float
XPLIST_SUB+=	SUFFIX_D=_d SUFFIX_DOUBLE=_double
XSUFFIX_D=	_d
X.else
XPLIST_SUB+=	SUFFIX_D= SUFFIX_DOUBLE=
XSUFFIX_D=
X.endif
X
X.ifdef WITHOUT_FFTW
XCONFIGURE_ARGS+=	--without-fftw
X.endif
X
X.ifdef WITH_MPI
XCONFIGURE_ARGS+=	--enable-mpi
XCONFIGURE_ENV+=	MPICC=${PREFIX}/mpich/bin/mpicc
XPLIST_SUB+=	WITH_MPI= _MPI=_mpi
X.else
XPLIST_SUB+=	WITH_MPI="@comment " SUFFIX_MPI=
X.endif
X
XMAN1=	anadock${SUFFIX_D}.1 \
X	g_cluster${SUFFIX_D}.1 \
X	g_filter${SUFFIX_D}.1 \
X	g_potential${SUFFIX_D}.1 \
X	g_velacc${SUFFIX_D}.1 \
X	ngmx${SUFFIX_D}.1 \
X	cdist${SUFFIX_D}.1 \
X	g_clustsize${SUFFIX_D}.1 \
X	g_gyrate${SUFFIX_D}.1 \
X	g_rama${SUFFIX_D}.1 \
X	g_wham${SUFFIX_D}.1 \
X	pdb2gmx${SUFFIX_D}.1 \
X	disco${SUFFIX_D}.1 \
X	g_confrms${SUFFIX_D}.1 \
X	g_h2order${SUFFIX_D}.1 \
X	g_rdf${SUFFIX_D}.1 \
X	genbox${SUFFIX_D}.1 \
X	protonate${SUFFIX_D}.1 \
X	do_dssp${SUFFIX_D}.1 \
X	g_covar${SUFFIX_D}.1 \
X	g_hbond${SUFFIX_D}.1 \
X	g_rms${SUFFIX_D}.1 \
X	genconf${SUFFIX_D}.1 \
X	tpbconv${SUFFIX_D}.1 \
X	editconf${SUFFIX_D}.1 \
X	g_density${SUFFIX_D}.1 \
X	g_helix${SUFFIX_D}.1 \
X	g_rmsdist${SUFFIX_D}.1 \
X	genion${SUFFIX_D}.1 \
X	trjcat${SUFFIX_D}.1 \
X	eneconv${SUFFIX_D}.1 \
X	g_dielectric${SUFFIX_D}.1 \
X	g_lie${SUFFIX_D}.1 \
X	g_rmsf${SUFFIX_D}.1 \
X	genpr${SUFFIX_D}.1 \
X	trjconv${SUFFIX_D}.1 \
X	ffscan${SUFFIX_D}.1 \
X	g_dih${SUFFIX_D}.1 \
X	g_mdmat${SUFFIX_D}.1 \
X	g_rotacf${SUFFIX_D}.1 \
X	gmxcheck${SUFFIX_D}.1 \
X	trjorder${SUFFIX_D}.1 \
X	g_anaeig${SUFFIX_D}.1 \
X	g_dipoles${SUFFIX_D}.1 \
X	g_mindist${SUFFIX_D}.1 \
X	g_saltbr${SUFFIX_D}.1 \
X	gmxdump${SUFFIX_D}.1 \
X	wheel${SUFFIX_D}.1 \
X	g_analyze${SUFFIX_D}.1 \
X	g_disre${SUFFIX_D}.1 \
X	g_morph${SUFFIX_D}.1 \
X	g_sas${SUFFIX_D}.1 \
X	grompp${SUFFIX_D}.1 \
X	x2top${SUFFIX_D}.1 \
X	g_angle${SUFFIX_D}.1 \
X	g_dist${SUFFIX_D}.1 \
X	g_msd${SUFFIX_D}.1 \
X	g_sgangle${SUFFIX_D}.1 \
X	highway${SUFFIX_D}.1 \
X	xpm2ps${SUFFIX_D}.1 \
X	g_bond${SUFFIX_D}.1 \
X	g_dyndom${SUFFIX_D}.1 \
X	g_nmeig${SUFFIX_D}.1 \
X	g_sorient${SUFFIX_D}.1 \
X	make_ndx${SUFFIX_D}.1 \
X	xrama${SUFFIX_D}.1 \
X	g_bundle${SUFFIX_D}.1 \
X	g_enemat${SUFFIX_D}.1 \
X	g_nmens${SUFFIX_D}.1 \
X	g_tcaf${SUFFIX_D}.1 \
X	mdrun${SUFFIX_D}.1 \
X	g_chi${SUFFIX_D}.1 \
X	g_energy${SUFFIX_D}.1 \
X	g_order${SUFFIX_D}.1 \
X	g_traj${SUFFIX_D}.1 \
X	mk_angndx${SUFFIX_D}.1
X
X.include <bsd.port.pre.mk>
X
Xpre-fetch:
X	@${ECHO}
X	@${ECHO} "OPTIONS:"
X	@${ECHO}
X	@${ECHO} "To compile without X11: define WITHOUT_X"
X	@${ECHO} "To compile using single precision floating point: define WITH_FLOAT"
X	@${ECHO} "To compile without fftw: define WITHOUT_FFTW"
X	@${ECHO} "To compile with mpi: define WITH_MPI"
X	@${ECHO}
X
X.include <bsd.port.post.mk>
END-of-gromacs/Makefile
echo x - gromacs/distinfo
sed 's/^X//' >gromacs/distinfo << 'END-of-gromacs/distinfo'
XMD5 (gromacs-3.2.1.tar.gz) = d298386495f6ee39b3155ce951984485
XSIZE (gromacs-3.2.1.tar.gz) = 3302723
END-of-gromacs/distinfo
echo x - gromacs/pkg-descr
sed 's/^X//' >gromacs/pkg-descr << 'END-of-gromacs/pkg-descr'
XGROMACS is a versatile package to perform molecular dynamics, i.e. simulate
Xthe Newtonian equations of motion for systems with hundreds to millions of
Xparticles.
X
XWWW: http://www.gromacs.org
END-of-gromacs/pkg-descr
echo x - gromacs/pkg-plist
sed 's/^X//' >gromacs/pkg-plist << 'END-of-gromacs/pkg-plist'
Xlib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.la
Xlib/libgmx%%SUFFIX_MPI%%%%SUFFIX_D%%.a
Xlib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.la
Xlib/libmd%%SUFFIX_MPI%%%%SUFFIX_D%%.a
Xlib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.la
X%%WITH_MPI%%lib/libgmxana%%SUFFIX_MPI%%%%SUFFIX_D%%.a
Xlib/libgmxana%%SUFFIX_D%%.a
X%%WITHOUT_X%%bin/ngmx%%SUFFIX_D%%
X%%WITHOUT_X%%bin/xrama%%SUFFIX_D%%
X%%WITHOUT_X%%bin/highway%%SUFFIX_D%%
Xbin/grompp%%SUFFIX_D%%
Xbin/mdrun%%SUFFIX_D%%
Xbin/tpbconv%%SUFFIX_D%%
Xbin/pdb2gmx%%SUFFIX_D%%
Xbin/protonate%%SUFFIX_D%%
Xbin/luck%%SUFFIX_D%%
Xbin/gmxdump%%SUFFIX_D%%
Xbin/gmxcheck%%SUFFIX_D%%
Xbin/x2top%%SUFFIX_D%%
Xbin/ffscan%%SUFFIX_D%%
Xbin/average%%SUFFIX_D%%
Xbin/do_dssp%%SUFFIX_D%%
Xbin/editconf%%SUFFIX_D%%
Xbin/eneconv%%SUFFIX_D%%
Xbin/genbox%%SUFFIX_D%%
Xbin/genconf%%SUFFIX_D%%
Xbin/genpr%%SUFFIX_D%%
Xbin/make_ndx%%SUFFIX_D%%
Xbin/mk_angndx%%SUFFIX_D%%
Xbin/trjcat%%SUFFIX_D%%
Xbin/trjconv%%SUFFIX_D%%
Xbin/trjorder%%SUFFIX_D%%
Xbin/wheel%%SUFFIX_D%%
Xbin/xpm2ps%%SUFFIX_D%%
Xbin/genion%%SUFFIX_D%%
Xbin/anadock%%SUFFIX_D%%
Xbin/cdist%%SUFFIX_D%%
Xbin/disco%%SUFFIX_D%%
Xbin/g_angle%%SUFFIX_D%%
Xbin/make_edi%%SUFFIX_D%%
Xbin/g_analyze%%SUFFIX_D%%
Xbin/g_anaeig%%SUFFIX_D%%
Xbin/g_bond%%SUFFIX_D%%
Xbin/g_bundle%%SUFFIX_D%%
Xbin/g_chi%%SUFFIX_D%%
Xbin/g_cluster%%SUFFIX_D%%
Xbin/g_confrms%%SUFFIX_D%%
Xbin/g_covar%%SUFFIX_D%%
Xbin/g_density%%SUFFIX_D%%
Xbin/g_dih%%SUFFIX_D%%
Xbin/g_dielectric%%SUFFIX_D%%
Xbin/g_dipoles%%SUFFIX_D%%
Xbin/g_disre%%SUFFIX_D%%
Xbin/g_dist%%SUFFIX_D%%
Xbin/g_dyndom%%SUFFIX_D%%
Xbin/g_enemat%%SUFFIX_D%%
Xbin/g_energy%%SUFFIX_D%%
Xbin/g_lie%%SUFFIX_D%%
Xbin/g_filter%%SUFFIX_D%%
Xbin/g_gyrate%%SUFFIX_D%%
Xbin/g_h2order%%SUFFIX_D%%
Xbin/g_hbond%%SUFFIX_D%%
Xbin/g_helix%%SUFFIX_D%%
Xbin/g_mindist%%SUFFIX_D%%
Xbin/g_msd%%SUFFIX_D%%
Xbin/g_morph%%SUFFIX_D%%
Xbin/g_nmeig%%SUFFIX_D%%
Xbin/g_nmens%%SUFFIX_D%%
Xbin/g_order%%SUFFIX_D%%
Xbin/g_potential%%SUFFIX_D%%
Xbin/g_rama%%SUFFIX_D%%
Xbin/g_rdf%%SUFFIX_D%%
Xbin/g_rms%%SUFFIX_D%%
Xbin/g_rmsdist%%SUFFIX_D%%
Xbin/g_rmsf%%SUFFIX_D%%
Xbin/g_rotacf%%SUFFIX_D%%
Xbin/g_saltbr%%SUFFIX_D%%
Xbin/g_sas%%SUFFIX_D%%
Xbin/g_sgangle%%SUFFIX_D%%
Xbin/g_sorient%%SUFFIX_D%%
Xbin/g_tcaf%%SUFFIX_D%%
Xbin/g_traj%%SUFFIX_D%%
Xbin/g_velacc%%SUFFIX_D%%
Xbin/g_clustsize%%SUFFIX_D%%
Xbin/g_mdmat%%SUFFIX_D%%
Xbin/g_wham%%SUFFIX_D%%
Xbin/GMXRC
Xbin/GMXRC.csh
Xbin/GMXRC.bash
Xbin/GMXRC.zsh
Xbin/completion.csh
Xbin/completion.bash
Xbin/completion.zsh
Xshare/gromacs/top/ffgmx.itp
Xshare/gromacs/top/ffgmxnb.itp
Xshare/gromacs/top/ffgmxbon.itp
Xshare/gromacs/top/ffgmx.atp
Xshare/gromacs/top/ffgmx.hdb
Xshare/gromacs/top/ffgmx.n2t
Xshare/gromacs/top/ffgmx.rtp
Xshare/gromacs/top/ffgmx-c.tdb
Xshare/gromacs/top/ffgmx-n.tdb
Xshare/gromacs/top/ffgmx2.itp
Xshare/gromacs/top/ffgmx2nb.itp
Xshare/gromacs/top/ffgmx2bon.itp
Xshare/gromacs/top/ffgmx2.atp
Xshare/gromacs/top/ffgmx2.hdb
Xshare/gromacs/top/ffgmx2.rtp
Xshare/gromacs/top/ffgmx2-c.tdb
Xshare/gromacs/top/ffgmx2-n.tdb
Xshare/gromacs/top/ffG43a1.itp
Xshare/gromacs/top/ffG43a1nb.itp
Xshare/gromacs/top/ffG43a1bon.itp
Xshare/gromacs/top/ffG43a1.atp
Xshare/gromacs/top/ffG43a1.hdb
Xshare/gromacs/top/ffG43a1.rtp
Xshare/gromacs/top/ffG43a1-c.tdb
Xshare/gromacs/top/ffG43a1-n.tdb
Xshare/gromacs/top/ffG43a2.itp
Xshare/gromacs/top/ffG43a2nb.itp
Xshare/gromacs/top/ffG43a2bon.itp
Xshare/gromacs/top/ffG43a2.atp
Xshare/gromacs/top/ffG43a2.hdb
Xshare/gromacs/top/ffG43a2.rtp
Xshare/gromacs/top/ffG43a2-c.tdb
Xshare/gromacs/top/ffG43a2-n.tdb
Xshare/gromacs/top/ffG43b1.itp
Xshare/gromacs/top/ffG43b1nb.itp
Xshare/gromacs/top/ffG43b1bon.itp
Xshare/gromacs/top/ffG43b1.atp
Xshare/gromacs/top/ffG43b1.hdb
Xshare/gromacs/top/ffG43b1.rtp
Xshare/gromacs/top/ffG43b1-c.tdb
Xshare/gromacs/top/ffG43b1-n.tdb
Xshare/gromacs/top/ffgmx.ddb
Xshare/gromacs/top/ffgmx2.ddb
Xshare/gromacs/top/ffG43a1.ddb
Xshare/gromacs/top/ffG43a2.ddb
Xshare/gromacs/top/ffG43b1.ddb
Xshare/gromacs/top/ffoplsaa.atp
Xshare/gromacs/top/ffoplsaa.itp
Xshare/gromacs/top/ffoplsaabon.itp
Xshare/gromacs/top/ffoplsaanb.itp
Xshare/gromacs/top/ffoplsaa.hdb
Xshare/gromacs/top/ffoplsaa-n.tdb
Xshare/gromacs/top/ffoplsaa-c.tdb
Xshare/gromacs/top/ffoplsaa.rtp
Xshare/gromacs/top/ffoplsaa.ddb
Xshare/gromacs/top/1mlg.itp
Xshare/gromacs/top/2mlg.itp
Xshare/gromacs/top/benzamide.itp
Xshare/gromacs/top/bondadd.itp
Xshare/gromacs/top/buck.itp
Xshare/gromacs/top/decane.itp
Xshare/gromacs/top/dlg.itp
Xshare/gromacs/top/dmso.itp
Xshare/gromacs/top/fa.itp
Xshare/gromacs/top/ff_dum.itp
Xshare/gromacs/top/flexspc.itp
Xshare/gromacs/top/flexspce.itp
Xshare/gromacs/top/flexwat-ferguson.itp
Xshare/gromacs/top/h2p4o13.itp
Xshare/gromacs/top/h2p8o25.itp
Xshare/gromacs/top/h2po4.itp
Xshare/gromacs/top/ions.itp
Xshare/gromacs/top/methanol.itp
Xshare/gromacs/top/spc.itp
Xshare/gromacs/top/spce.itp
Xshare/gromacs/top/tfe.itp
Xshare/gromacs/top/tip3p.itp
Xshare/gromacs/top/tip4p.itp
Xshare/gromacs/top/urea.itp
Xshare/gromacs/top/dgsolv.dat
Xshare/gromacs/top/dec50.gro
Xshare/gromacs/top/dmso.gro
Xshare/gromacs/top/spc216.gro
Xshare/gromacs/top/tip4p.gro
Xshare/gromacs/top/urea+h2o.gro
Xshare/gromacs/top/aminoacids.dat
Xshare/gromacs/top/atommass.dat
Xshare/gromacs/top/bromacs.dat
Xshare/gromacs/top/ca-shift.dat
Xshare/gromacs/top/cb-shift.dat
Xshare/gromacs/top/co-shift.dat
Xshare/gromacs/top/edissoc.dat
Xshare/gromacs/top/FF.dat
Xshare/gromacs/top/ss.map
Xshare/gromacs/top/gurgle.dat
Xshare/gromacs/top/ha-shift.dat
Xshare/gromacs/top/links.dat
Xshare/gromacs/top/phbres.dat
Xshare/gromacs/top/random.dat
Xshare/gromacs/top/refi_aa.dat
Xshare/gromacs/top/specbond.dat
Xshare/gromacs/top/surface.dat
Xshare/gromacs/top/vdwradii.dat
Xshare/gromacs/top/xlateat.dat
Xshare/gromacs/top/export.dlg
Xshare/gromacs/top/bonds.dlg
Xshare/gromacs/top/ps.m2p
Xshare/gromacs/top/table6-10.xvg
Xshare/gromacs/top/table6-11.xvg
Xshare/gromacs/top/table6-12.xvg
Xshare/gromacs/top/table6-8.xvg
Xshare/gromacs/top/table6-9.xvg
Xshare/gromacs/top/atom_nom.tbl
Xshare/gromacs/top/gromacs.dtd
Xshare/gromacs/top/tip5p.gro
Xshare/gromacs/top/tip5p.itp
Xshare/gromacs/top/sw.itp
Xshare/gromacs/tutor/nmr1/conf.gro
Xshare/gromacs/tutor/nmr1/grompp.mdp
Xshare/gromacs/tutor/nmr1/pep.pdb
Xshare/gromacs/tutor/nmr1/topol.top
Xshare/gromacs/tutor/nmr2/conf.gro
Xshare/gromacs/tutor/nmr2/genconf.gcp
Xshare/gromacs/tutor/nmr2/grompp.mdp
Xshare/gromacs/tutor/nmr2/pep.pdb
Xshare/gromacs/tutor/nmr2/topol.top
Xshare/gromacs/tutor/speptide/em.mdp
Xshare/gromacs/tutor/speptide/full.mdp
Xshare/gromacs/tutor/speptide/pr.mdp
Xshare/gromacs/tutor/speptide/speptide.pdb
Xshare/gromacs/tutor/water/index.ndx
Xshare/gromacs/tutor/water/conf.gro
Xshare/gromacs/tutor/water/spc216.pdb
Xshare/gromacs/tutor/water/grompp.mdp
Xshare/gromacs/tutor/water/topol.top
Xshare/gromacs/tutor/gmxdemo/cpeptide.pdb
Xshare/gromacs/tutor/gmxdemo/demo%%SUFFIX_D%%
Xshare/gromacs/tutor/methanol/index.ndx
Xshare/gromacs/tutor/methanol/conf.gro
Xshare/gromacs/tutor/methanol/methanol.pdb
Xshare/gromacs/tutor/methanol/grompp.mdp
Xshare/gromacs/tutor/methanol/topol.top
Xshare/gromacs/tutor/methanol/methanol.itp
Xshare/gromacs/tutor/mixed/index.ndx
Xshare/gromacs/tutor/mixed/conf.gro
Xshare/gromacs/tutor/mixed/mixed.pdb
Xshare/gromacs/tutor/mixed/grompp.mdp
Xshare/gromacs/tutor/mixed/topol.top
Xshare/gromacs/tutor/cleanit%%SUFFIX_D%%
Xshare/gromacs/template/template.c
Xshare/gromacs/template/README
Xshare/gromacs/template/Makefile.%%BUILD%%%%SUFFIX_DOUBLE%%
Xshare/gromacs/html/online.html
Xshare/gromacs/html/gmxfaq.html
Xshare/gromacs/html/images/features.gif
Xshare/gromacs/html/images/flow_leftrightup.gif
Xshare/gromacs/html/images/flow_vrule.gif
Xshare/gromacs/html/images/flow_down.gif
Xshare/gromacs/html/images/flow_leftup.gif
Xshare/gromacs/html/images/links.gif
Xshare/gromacs/html/images/articles.gif
Xshare/gromacs/html/images/flow_downleft.gif
Xshare/gromacs/html/images/flow_right+left.gif
Xshare/gromacs/html/images/mail.gif
Xshare/gromacs/html/images/bench.gif
Xshare/gromacs/html/images/flow_hline.gif
Xshare/gromacs/html/images/flow_right.gif
Xshare/gromacs/html/images/manual.gif
Xshare/gromacs/html/images/charts_down.gif
Xshare/gromacs/html/images/flow_left.gif
Xshare/gromacs/html/images/flow_rightleftdown.gif
Xshare/gromacs/html/images/gmxlogo_small.jpg
Xshare/gromacs/html/images/charts_up.gif
Xshare/gromacs/html/images/faq.gif
Xshare/gromacs/html/images/flow_leftright.gif
Xshare/gromacs/html/images/flow_uprightleft.gif
Xshare/gromacs/html/images/software.gif
Xshare/gromacs/html/images/flow_leftrightdown.gif
Xshare/gromacs/html/images/flow_vline.gif
Xshare/gromacs/html/images/topologies.gif
Xshare/gromacs/html/images/plotje.gif
Xshare/gromacs/html/images/xvgr.gif
Xshare/gromacs/html/images/1ctf-0.jpg
Xshare/gromacs/html/images/1ctf-0.2.jpg
Xshare/gromacs/html/images/1ctf-0.5.jpg
Xshare/gromacs/html/images/1ctf-1.jpg
Xshare/gromacs/html/images/1ctf-4.jpg
Xshare/gromacs/html/images/1ctf-10.jpg
Xshare/gromacs/html/online/dat.html
Xshare/gromacs/html/online/g_disre.html
Xshare/gromacs/html/online/g_sorient.html
Xshare/gromacs/html/online/ndx.html
Xshare/gromacs/html/online/dlg.html
Xshare/gromacs/html/online/g_dist.html
Xshare/gromacs/html/online/g_tcaf.html
Xshare/gromacs/html/online/ngmx.html
Xshare/gromacs/html/online/do_dssp.html
Xshare/gromacs/html/online/g_dyndom.html
Xshare/gromacs/html/online/g_traj.html
Xshare/gromacs/html/online/edi.html
Xshare/gromacs/html/online/g_enemat.html
Xshare/gromacs/html/online/g_velacc.html
Xshare/gromacs/html/online/options.html
Xshare/gromacs/html/online/editconf.html
Xshare/gromacs/html/online/g_energy.html
Xshare/gromacs/html/online/genbox.html
Xshare/gromacs/html/online/out.html
Xshare/gromacs/html/online/edo.html
Xshare/gromacs/html/online/g_gyrate.html
Xshare/gromacs/html/online/genconf.html
Xshare/gromacs/html/online/pdb.html
Xshare/gromacs/html/online/edr.html
Xshare/gromacs/html/online/g_h2order.html
Xshare/gromacs/html/online/genion.html
Xshare/gromacs/html/online/pdb2gmx.html
Xshare/gromacs/html/online/ene.html
Xshare/gromacs/html/online/g_hbond.html
Xshare/gromacs/html/online/genpr.html
Xshare/gromacs/html/online/protonate.html
Xshare/gromacs/html/online/eneconv.html
Xshare/gromacs/html/online/g_helix.html
Xshare/gromacs/html/online/getting_started.html
Xshare/gromacs/html/online/rtp.html
Xshare/gromacs/html/online/eps.html
Xshare/gromacs/html/online/g_lie.html
Xshare/gromacs/html/online/gmxcheck.html
Xshare/gromacs/html/online/tex.html
Xshare/gromacs/html/online/files.html
Xshare/gromacs/html/online/g_mdmat.html
Xshare/gromacs/html/online/gmxdump.html
Xshare/gromacs/html/online/top.html
Xshare/gromacs/html/online/flow.html
Xshare/gromacs/html/online/g_mindist.html
Xshare/gromacs/html/online/gro.html
Xshare/gromacs/html/online/tpa.html
Xshare/gromacs/html/online/g87.html
Xshare/gromacs/html/online/g_morph.html
Xshare/gromacs/html/online/grompp.html
Xshare/gromacs/html/online/tpb.html
Xshare/gromacs/html/online/g96.html
Xshare/gromacs/html/online/g_msd.html
Xshare/gromacs/html/online/hat.html
Xshare/gromacs/html/online/tpbconv.html
Xshare/gromacs/html/online/g_anaeig.html
Xshare/gromacs/html/online/g_nmeig.html
Xshare/gromacs/html/online/highway.html
Xshare/gromacs/html/online/tpr.html
Xshare/gromacs/html/online/g_analyze.html
Xshare/gromacs/html/online/g_nmens.html
Xshare/gromacs/html/online/include_bot.html
Xshare/gromacs/html/online/trj.html
Xshare/gromacs/html/online/g_angle.html
Xshare/gromacs/html/online/g_order.html
Xshare/gromacs/html/online/include_top.html
Xshare/gromacs/html/online/trjcat.html
Xshare/gromacs/html/online/g_bond.html
Xshare/gromacs/html/online/g_potential.html
Xshare/gromacs/html/online/itp.html
Xshare/gromacs/html/online/trjconv.html
Xshare/gromacs/html/online/g_bundle.html
Xshare/gromacs/html/online/g_rama.html
Xshare/gromacs/html/online/log.html
Xshare/gromacs/html/online/trjorder.html
Xshare/gromacs/html/online/g_chi.html
Xshare/gromacs/html/online/g_rdf.html
Xshare/gromacs/html/online/m2p.html
Xshare/gromacs/html/online/trr.html
Xshare/gromacs/html/online/g_cluster.html
Xshare/gromacs/html/online/g_rms.html
Xshare/gromacs/html/online/make_ndx.html
Xshare/gromacs/html/online/wheel.html
Xshare/gromacs/html/online/g_confrms.html
Xshare/gromacs/html/online/g_rmsdist.html
Xshare/gromacs/html/online/map.html
Xshare/gromacs/html/online/x2top.html
Xshare/gromacs/html/online/g_covar.html
Xshare/gromacs/html/online/g_rmsf.html
Xshare/gromacs/html/online/mdp.html
Xshare/gromacs/html/online/xpm.html
Xshare/gromacs/html/online/g_density.html
Xshare/gromacs/html/online/g_rotacf.html
Xshare/gromacs/html/online/mdp_opt.html
Xshare/gromacs/html/online/xpm2ps.html
Xshare/gromacs/html/online/g_dielectric.html
Xshare/gromacs/html/online/g_saltbr.html
Xshare/gromacs/html/online/mdrun.html
Xshare/gromacs/html/online/xrama.html
Xshare/gromacs/html/online/g_dih.html
Xshare/gromacs/html/online/g_sas.html
Xshare/gromacs/html/online/mk_angndx.html
Xshare/gromacs/html/online/xtc.html
Xshare/gromacs/html/online/g_dipoles.html
Xshare/gromacs/html/online/g_sgangle.html
Xshare/gromacs/html/online/mtx.html
Xshare/gromacs/html/online/xvg.html
Xshare/gromacs/html/online/style.css
Xshare/gromacs/html/online/water.html
Xshare/gromacs/html/online/gmxdemo.html
Xshare/gromacs/html/online/speptide.html
Xshare/gromacs/html/online/yourown.html
Xshare/gromacs/html/online/methanol.html
Xshare/gromacs/html/online/mixed.html
Xshare/gromacs/html/online/protunf.html
Xinclude/gromacs/3dview.h
Xinclude/gromacs/do_md.h
Xinclude/gromacs/invblock.h
Xinclude/gromacs/nrjac.h
Xinclude/gromacs/tpxio.h
Xinclude/gromacs/assert.h
Xinclude/gromacs/dihre.h
Xinclude/gromacs/nrnb.h
Xinclude/gromacs/sheader.h
Xinclude/gromacs/transfer.h
Xinclude/gromacs/atomprop.h
Xinclude/gromacs/dummies.h
Xinclude/gromacs/ns.h
Xinclude/gromacs/shift.h
Xinclude/gromacs/trnio.h
Xinclude/gromacs/axp_asm.h
Xinclude/gromacs/ebin.h
Xinclude/gromacs/macros.h
Xinclude/gromacs/nsb.h
Xinclude/gromacs/shift_util.h
Xinclude/gromacs/txtdump.h
Xinclude/gromacs/edsam.h
Xinclude/gromacs/magic.h
Xinclude/gromacs/nsgrid.h
Xinclude/gromacs/typedefs.h
Xinclude/gromacs/block_tx.h
Xinclude/gromacs/enxio.h
Xinclude/gromacs/main.h
Xinclude/gromacs/pbc.h
Xinclude/gromacs/smalloc.h
Xinclude/gromacs/update.h
Xinclude/gromacs/bondf.h
Xinclude/gromacs/ewald.h
Xinclude/gromacs/maths.h
Xinclude/gromacs/pdbio.h
Xinclude/gromacs/sortwater.h
Xinclude/gromacs/utils.h
Xinclude/gromacs/ewald_util.h
Xinclude/gromacs/matio.h
Xinclude/gromacs/pdebug.h
Xinclude/gromacs/split.h
Xinclude/gromacs/vcm.h
Xinclude/gromacs/calcgrid.h
Xinclude/gromacs/fatal.h
Xinclude/gromacs/mdatoms.h
Xinclude/gromacs/physics.h
Xinclude/gromacs/vec.h
Xinclude/gromacs/calch.h
Xinclude/gromacs/ffscanf.h
Xinclude/gromacs/mdebin.h
Xinclude/gromacs/pme.h
Xinclude/gromacs/statusio.h
Xinclude/gromacs/viewit.h
Xinclude/gromacs/calcmu.h
Xinclude/gromacs/fftgrid.h
Xinclude/gromacs/mdrun.h
Xinclude/gromacs/pppm.h
Xinclude/gromacs/statutil.h
Xinclude/gromacs/callf77.h
Xinclude/gromacs/fftw_wrapper.h
Xinclude/gromacs/gmx_ana.h
Xinclude/gromacs/princ.h
Xinclude/gromacs/wgms.h
Xinclude/gromacs/gmx_system_xdr.h
Xinclude/gromacs/filenm.h
Xinclude/gromacs/pull.h
Xinclude/gromacs/rdgroup.h
Xinclude/gromacs/strdb.h
Xinclude/gromacs/wman.h
Xinclude/gromacs/force.h
Xinclude/gromacs/string2.h
Xinclude/gromacs/writeps.h
Xinclude/gromacs/gmxcomplex.h
Xinclude/gromacs/futil.h
Xinclude/gromacs/metacode.h
Xinclude/gromacs/random.h
Xinclude/gromacs/struc2.h
Xinclude/gromacs/x86_3dnow.h
Xinclude/gromacs/gbutil.h
Xinclude/gromacs/gmx_random.h
Xinclude/gromacs/rbin.h
Xinclude/gromacs/detectcpu.h
Xinclude/gromacs/tgroup.h
Xinclude/gromacs/mshift.h
Xinclude/gromacs/symtab.h
Xinclude/gromacs/x86_sse.h
Xinclude/gromacs/confio.h
Xinclude/gromacs/gmxfio.h
Xinclude/gromacs/xdrf.h
Xinclude/gromacs/constr.h
Xinclude/gromacs/grompp.h
Xinclude/gromacs/names.h
Xinclude/gromacs/readcomp.h
Xinclude/gromacs/xtcio.h
Xinclude/gromacs/copyrite.h
Xinclude/gromacs/gstat.h
Xinclude/gromacs/network.h
Xinclude/gromacs/readinp.h
Xinclude/gromacs/sysstuff.h
Xinclude/gromacs/xvgr.h
Xinclude/gromacs/index.h
Xinclude/gromacs/mvdata.h
Xinclude/gromacs/disre.h
Xinclude/gromacs/orires.h
Xinclude/gromacs/x86_sse2.h
Xinclude/gromacs/init.h
Xinclude/gromacs/nr.h
Xinclude/gromacs/reorder.h
Xinclude/gromacs/tags.h
Xinclude/gromacs/do_fit.h
Xinclude/gromacs/nrama.h
Xinclude/gromacs/rmpbc.h
Xinclude/gromacs/ppc_altivec.h
Xinclude/gromacs/types/atoms.h
Xinclude/gromacs/types/edsams.h
Xinclude/gromacs/types/forcerec.h
Xinclude/gromacs/types/ifunc.h
Xinclude/gromacs/types/mdatom.h
Xinclude/gromacs/types/nsborder.h
Xinclude/gromacs/types/simple.h
Xinclude/gromacs/types/block.h
Xinclude/gromacs/types/energy.h
Xinclude/gromacs/types/graph.h
Xinclude/gromacs/types/inputrec.h
Xinclude/gromacs/types/nblist.h
Xinclude/gromacs/types/nsgrid.h
Xinclude/gromacs/types/symtab.h
Xinclude/gromacs/types/commrec.h
Xinclude/gromacs/types/enums.h
Xinclude/gromacs/types/group.h
Xinclude/gromacs/types/ishift.h
Xinclude/gromacs/types/nbslist.h
Xinclude/gromacs/types/parm.h
Xinclude/gromacs/types/topology.h
Xinclude/gromacs/types/fcdata.h
Xinclude/gromacs/types/filenm.h
Xinclude/gromacs/types/idef.h
Xinclude/gromacs/types/matrix.h
Xinclude/gromacs/types/nrnb.h
Xinclude/gromacs/types/trx.h
Xinclude/gromacs/types/state.h
X@dirrm share/gromacs/tutor/water
X@dirrm share/gromacs/tutor/speptide
X@dirrm share/gromacs/tutor/nmr2
X@dirrm share/gromacs/tutor/nmr1
X@dirrm share/gromacs/tutor/mixed
X@dirrm share/gromacs/tutor/methanol
X@dirrm share/gromacs/tutor/gmxdemo
X@dirrm share/gromacs/tutor
X@dirrm share/gromacs/top
X@dirrm share/gromacs/template
X@dirrm share/gromacs/html/online
X@dirrm share/gromacs/html/images
X@dirrm share/gromacs/html
X@dirrm share/gromacs
X@dirrm include/gromacs/types
X@dirrm include/gromacs
END-of-gromacs/pkg-plist
exit



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