Public Git Hosting - gromacs/qmmm-gamess-us.git/tree

drwxr-xr-x		..
-rw-r--r--	21	.cvsignore	blob \| blame \| history \| raw
-rw-r--r--	3452	1mlg.itp	blob \| blame \| history \| raw
-rw-r--r--	3528	2mlg.itp	blob \| blame \| history \| raw
-rw-r--r--	1360	Makefile.am	blob \| blame \| history \| raw
-rw-r--r--	294	aminoacids.dat	blob \| blame \| history \| raw
-rw-r--r--	6853	atom_nom.tbl	blob \| blame \| history \| raw
-rw-r--r--	3780	atommass.dat	blob \| blame \| history \| raw
-rw-r--r--	3853	benzamide.itp	blob \| blame \| history \| raw
-rw-r--r--	140	bondadd.itp	blob \| blame \| history \| raw
-rw-r--r--	733	bonds.dlg	blob \| blame \| history \| raw
-rw-r--r--	1133	bromacs.dat	blob \| blame \| history \| raw
-rw-r--r--	675	buck.itp	blob \| blame \| history \| raw
-rw-r--r--	1986	ca-shift.dat	blob \| blame \| history \| raw
-rw-r--r--	1986	cb-shift.dat	blob \| blame \| history \| raw
drwxr-xr-x	-	charmm27.ff	tree \| history
-rw-r--r--	1968	co-shift.dat	blob \| blame \| history \| raw
-rw-r--r--	34511	dec50.gro	blob \| blame \| history \| raw
-rw-r--r--	539	decane.itp	blob \| blame \| history \| raw
-rw-r--r--	973	defselection.dat	blob \| blame \| history \| raw
-rw-r--r--	2050	dgsolv.dat	blob \| blame \| history \| raw
-rw-r--r--	5625	dlg.itp	blob \| blame \| history \| raw
-rw-r--r--	57505	dmso.gro	blob \| blame \| history \| raw
-rw-r--r--	702	dmso.itp	blob \| blame \| history \| raw
-rw-r--r--	138	edissoc.dat	blob \| blame \| history \| raw
-rw-r--r--	837	electroneg.dat	blob \| blame \| history \| raw
-rw-r--r--	3940	elements.dat	blob \| blame \| history \| raw
drwxr-xr-x	-	encads.ff	tree \| history
drwxr-xr-x	-	encadv.ff	tree \| history
-rw-r--r--	345	export.dlg	blob \| blame \| history \| raw
-rw-r--r--	2602	fa.itp	blob \| blame \| history \| raw
-rw-r--r--	148	ffG43a1.itp	blob \| blame \| history \| raw
-rw-r--r--	148	ffG43a2.itp	blob \| blame \| history \| raw
-rw-r--r--	148	ffG45a3.itp	blob \| blame \| history \| raw
-rw-r--r--	148	ffG53a5.itp	blob \| blame \| history \| raw
-rw-r--r--	148	ffG53a6.itp	blob \| blame \| history \| raw
-rw-r--r--	1274	ff_dum.itp	blob \| blame \| history \| raw
-rw-r--r--	144	ffencads.itp	blob \| blame \| history \| raw
-rw-r--r--	144	ffencadv.itp	blob \| blame \| history \| raw
-rw-r--r--	141	ffgmx.itp	blob \| blame \| history \| raw
-rw-r--r--	142	ffgmx2.itp	blob \| blame \| history \| raw
-rw-r--r--	1110	ffoplsaa-n.tst	blob \| blame \| history \| raw
-rw-r--r--	144	ffoplsaa.itp	blob \| blame \| history \| raw
-rw-r--r--	36	flexspc.itp	blob \| blame \| history \| raw
-rw-r--r--	37	flexspce.itp	blob \| blame \| history \| raw
-rw-r--r--	1039	flexwat-ferguson.itp	blob \| blame \| history \| raw
drwxr-xr-x	-	gmx.ff	tree \| history
drwxr-xr-x	-	gmx2.ff	tree \| history
drwxr-xr-x	-	gromos43a1.ff	tree \| history
drwxr-xr-x	-	gromos43a2.ff	tree \| history
drwxr-xr-x	-	gromos45a3.ff	tree \| history
drwxr-xr-x	-	gromos53a5.ff	tree \| history
drwxr-xr-x	-	gromos53a6.ff	tree \| history
-rw-r--r--	17850	gurgle.dat	blob \| blame \| history \| raw
-rw-r--r--	4252	h2p4o13.itp	blob \| blame \| history \| raw
-rw-r--r--	8134	h2p8o25.itp	blob \| blame \| history \| raw
-rw-r--r--	1561	h2po4.itp	blob \| blame \| history \| raw
-rw-r--r--	1986	ha-shift.dat	blob \| blame \| history \| raw
-rw-r--r--	223	highway.dat	blob \| blame \| history \| raw
-rw-r--r--	292	ions.itp	blob \| blame \| history \| raw
-rw-r--r--	697	links.dat	blob \| blame \| history \| raw
-rw-r--r--	1151	methanol.itp	blob \| blame \| history \| raw
-rw-r--r--	44799	methanol216.gro	blob \| blame \| history \| raw
-rw-r--r--	2012	opls-1propanol.itp	blob \| blame \| history \| raw
-rw-r--r--	1461	opls-ethanol.itp	blob \| blame \| history \| raw
-rw-r--r--	868	opls-methanol.itp	blob \| blame \| history \| raw
drwxr-xr-x	-	oplsaa.ff	tree \| history
-rw-r--r--	85	phbres.dat	blob \| blame \| history \| raw
-rw-r--r--	1513	ps.m2p	blob \| blame \| history \| raw
-rw-r--r--	2509	random.dat	blob \| blame \| history \| raw
-rw-r--r--	46043	refi_aa.dat	blob \| blame \| history \| raw
-rw-r--r--	6177	residues.dtd	blob \| blame \| history \| raw
-rw-r--r--	57683	residues.xml	blob \| blame \| history \| raw
-rw-r--r--	290	spc.itp	blob \| blame \| history \| raw
-rw-r--r--	29266	spc216.gro	blob \| blame \| history \| raw
-rw-r--r--	294	spce.itp	blob \| blame \| history \| raw
-rw-r--r--	343	specbond.dat	blob \| blame \| history \| raw
-rw-r--r--	542	ss.map	blob \| blame \| history \| raw
-rw-r--r--	308	surface.dat	blob \| blame \| history \| raw
-rw-r--r--	3900	sw.itp	blob \| blame \| history \| raw
-rw-r--r--	190620	table6-10.xvg	blob \| blame \| history \| raw
-rw-r--r--	190620	table6-11.xvg	blob \| blame \| history \| raw
-rw-r--r--	190620	table6-12.xvg	blob \| blame \| history \| raw
-rw-r--r--	190619	table6-8.xvg	blob \| blame \| history \| raw
-rw-r--r--	190619	table6-9.xvg	blob \| blame \| history \| raw
-rw-r--r--	2447	tfe.itp	blob \| blame \| history \| raw
-rw-r--r--	298	tip3p.itp	blob \| blame \| history \| raw
-rw-r--r--	59711	tip4p.gro	blob \| blame \| history \| raw
-rw-r--r--	298	tip4p.itp	blob \| blame \| history \| raw
-rw-r--r--	176738	tip5p.gro	blob \| blame \| history \| raw
-rw-r--r--	93882	urea+h2o.gro	blob \| blame \| history \| raw
-rw-r--r--	3194	urea.itp	blob \| blame \| history \| raw
-rw-r--r--	637	vdw-msms.dat	blob \| blame \| history \| raw
-rw-r--r--	656	vdwradii.dat	blob \| blame \| history \| raw
-rw-r--r--	447	xlateat.dat	blob \| blame \| history \| raw