Public Git Hosting - gromacs.git/tree - src/programs/mdrun/tests/

drwxr-xr-x		..
-rw-r--r--	3063	CMakeLists.txt	blob \| blame \| history \| raw
-rw-r--r--	953742	OctaneSandwich.gro	blob \| blame \| history \| raw
-rw-r--r--	139414	OctaneSandwich.ndx	blob \| blame \| history \| raw
-rw-r--r--	16860	OctaneSandwich.top	blob \| blame \| history \| raw
-rw-r--r--	8210	alanine_vsite.itp	blob \| blame \| history \| raw
-rw-r--r--	63816	alanine_vsite_solvated.gro	blob \| blame \| history \| raw
-rw-r--r--	4688	alanine_vsite_solvated.ndx	blob \| blame \| history \| raw
-rw-r--r--	592	alanine_vsite_solvated.top	blob \| blame \| history \| raw
-rw-r--r--	2129	alanine_vsite_vacuo.gro	blob \| blame \| history \| raw
-rw-r--r--	157	alanine_vsite_vacuo.ndx	blob \| blame \| history \| raw
-rw-r--r--	265	alanine_vsite_vacuo.top	blob \| blame \| history \| raw
-rw-r--r--	893	argon12.gro	blob \| blame \| history \| raw
-rw-r--r--	71	argon12.ndx	blob \| blame \| history \| raw
-rw-r--r--	710	argon12.top	blob \| blame \| history \| raw
-rw-r--r--	402451	argon5832.gro	blob \| blame \| history \| raw
-rw-r--r--	88675	argon5832.ndx	blob \| blame \| history \| raw
-rw-r--r--	708	argon5832.top	blob \| blame \| history \| raw
-rw-r--r--	231	butane1.gro	blob \| blame \| history \| raw
-rw-r--r--	31	butane1.ndx	blob \| blame \| history \| raw
-rw-r--r--	11589	butane_a0.xvg	blob \| blame \| history \| raw
-rw-r--r--	19149	butane_b0.xvg	blob \| blame \| history \| raw
-rw-r--r--	23180	butane_d0.xvg	blob \| blame \| history \| raw
-rw-r--r--	4083	compressed_x_output.cpp	blob \| blame \| history \| raw
-rw-r--r--	2750	domain_decomposition.cpp	blob \| blame \| history \| raw
-rw-r--r--	2987	energycomparison.cpp	blob \| blame \| history \| raw
-rw-r--r--	2720	energycomparison.h	blob \| blame \| history \| raw
-rw-r--r--	6919	energyreader.cpp	blob \| blame \| history \| raw
-rw-r--r--	7064	energyreader.h	blob \| blame \| history \| raw
-rw-r--r--	2712	grompp.cpp	blob \| blame \| history \| raw
-rw-r--r--	5817	initialconstraints.cpp	blob \| blame \| history \| raw
-rw-r--r--	3493	interactiveMD.cpp	blob \| blame \| history \| raw
-rw-r--r--	10343	mdruncomparison.cpp	blob \| blame \| history \| raw
-rw-r--r--	6488	mdruncomparison.h	blob \| blame \| history \| raw
-rw-r--r--	8225	moduletest.cpp	blob \| blame \| history \| raw
-rw-r--r--	8479	moduletest.h	blob \| blame \| history \| raw
-rw-r--r--	4327	multisim.cpp	blob \| blame \| history \| raw
-rw-r--r--	6154	multisimtest.cpp	blob \| blame \| history \| raw
-rw-r--r--	4162	multisimtest.h	blob \| blame \| history \| raw
-rw-r--r--	2619	nonanol_vacuo.gro	blob \| blame \| history \| raw
-rw-r--r--	194	nonanol_vacuo.ndx	blob \| blame \| history \| raw
-rw-r--r--	15393	nonanol_vacuo.top	blob \| blame \| history \| raw
-rw-r--r--	10333	pmetest.cpp	blob \| blame \| history \| raw
drwxr-xr-x	-	refdata	tree \| history
-rw-r--r--	3135	replicaexchange.cpp	blob \| blame \| history \| raw
-rw-r--r--	3847	rerun.cpp	blob \| blame \| history \| raw
-rw-r--r--	449	spc-and-methanol.gro	blob \| blame \| history \| raw
-rw-r--r--	91	spc-and-methanol.ndx	blob \| blame \| history \| raw
-rw-r--r--	208	spc-and-methanol.top	blob \| blame \| history \| raw
-rw-r--r--	449	spc2.gro	blob \| blame \| history \| raw
-rw-r--r--	117	spc2.ndx	blob \| blame \| history \| raw
-rw-r--r--	782	spc2.top	blob \| blame \| history \| raw
-rw-r--r--	264	spc2.trr	blob \| blame \| history \| raw
-rw-r--r--	44769	spc216.gro	blob \| blame \| history \| raw
-rw-r--r--	3295	spc216.ndx	blob \| blame \| history \| raw
-rw-r--r--	177	spc216.top	blob \| blame \| history \| raw
-rw-r--r--	45112	spc216_with_methane.gro	blob \| blame \| history \| raw
-rw-r--r--	933	spc216_with_methane.top	blob \| blame \| history \| raw
-rw-r--r--	355	spc2_and_vacuum.gro	blob \| blame \| history \| raw
-rw-r--r--	1109	spc5.gro	blob \| blame \| history \| raw
-rw-r--r--	87	spc5.ndx	blob \| blame \| history \| raw
-rw-r--r--	175	spc5.top	blob \| blame \| history \| raw
-rw-r--r--	5136	swapcoords.cpp	blob \| blame \| history \| raw
-rw-r--r--	7312	tabulated_bonded_interactions.cpp	blob \| blame \| history \| raw
-rw-r--r--	3300	termination.cpp	blob \| blame \| history \| raw
-rw-r--r--	3582	terminationhelper.cpp	blob \| blame \| history \| raw
-rw-r--r--	3900	terminationhelper.h	blob \| blame \| history \| raw
-rw-r--r--	5325	tpitest.cpp	blob \| blame \| history \| raw
-rw-r--r--	5646	trajectory_writing.cpp	blob \| blame \| history \| raw
-rw-r--r--	7524	trajectorycomparison.cpp	blob \| blame \| history \| raw
-rw-r--r--	4441	trajectorycomparison.h	blob \| blame \| history \| raw
-rw-r--r--	5154	trajectoryreader.cpp	blob \| blame \| history \| raw
-rw-r--r--	5931	trajectoryreader.h	blob \| blame \| history \| raw