Public Git Hosting - gromacs.git/tree - src/gromacs/gmxpreprocess/tests/refdata/

drwxr-xr-x		..
-rw-r--r--	8708	ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	8708	ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	8708	ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	8708	ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	71275	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	1468	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	71275	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	1468	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	71437	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	1577	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	71113	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	1361	ChainSep_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	72476	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	81169	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	74871	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	66129	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	78677	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	86928	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	81641	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	72049	ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	1459	ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	243864	ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	1280012	ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	243864	ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	70950	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	80308	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	72725	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	65235	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	77151	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	86067	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	79495	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	71155	ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	37688	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	46224	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	38830	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_10.xml	blob \| blame \| history \| raw
-rw-r--r--	34849	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_11.xml	blob \| blame \| history \| raw
-rw-r--r--	39649	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_12.xml	blob \| blame \| history \| raw
-rw-r--r--	48657	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_13.xml	blob \| blame \| history \| raw
-rw-r--r--	40681	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_14.xml	blob \| blame \| history \| raw
-rw-r--r--	36583	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_15.xml	blob \| blame \| history \| raw
-rw-r--r--	38829	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	34848	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	39648	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	48656	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	40680	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	36582	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	37689	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_8.xml	blob \| blame \| history \| raw
-rw-r--r--	46225	ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_9.xml	blob \| blame \| history \| raw
-rw-r--r--	38130	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	47073	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	39272	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_10.xml	blob \| blame \| history \| raw
-rw-r--r--	35287	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_11.xml	blob \| blame \| history \| raw
-rw-r--r--	40153	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_12.xml	blob \| blame \| history \| raw
-rw-r--r--	49630	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_13.xml	blob \| blame \| history \| raw
-rw-r--r--	41185	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_14.xml	blob \| blame \| history \| raw
-rw-r--r--	37083	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_15.xml	blob \| blame \| history \| raw
-rw-r--r--	39271	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	35286	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	40152	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	49629	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	41184	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	37082	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	38131	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_8.xml	blob \| blame \| history \| raw
-rw-r--r--	47074	ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_9.xml	blob \| blame \| history \| raw
-rw-r--r--	72239	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_0.xml	blob \| blame \| history \| raw
-rw-r--r--	82673	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_1.xml	blob \| blame \| history \| raw
-rw-r--r--	74423	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_10.xml	blob \| blame \| history \| raw
-rw-r--r--	66538	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_11.xml	blob \| blame \| history \| raw
-rw-r--r--	78440	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_12.xml	blob \| blame \| history \| raw
-rw-r--r--	88432	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_13.xml	blob \| blame \| history \| raw
-rw-r--r--	81193	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_14.xml	blob \| blame \| history \| raw
-rw-r--r--	72458	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_15.xml	blob \| blame \| history \| raw
-rw-r--r--	72239	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_16.xml	blob \| blame \| history \| raw
-rw-r--r--	82673	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_17.xml	blob \| blame \| history \| raw
-rw-r--r--	74423	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_18.xml	blob \| blame \| history \| raw
-rw-r--r--	66538	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_19.xml	blob \| blame \| history \| raw
-rw-r--r--	74423	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_2.xml	blob \| blame \| history \| raw
-rw-r--r--	78440	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_20.xml	blob \| blame \| history \| raw
-rw-r--r--	88432	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_21.xml	blob \| blame \| history \| raw
-rw-r--r--	81193	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_22.xml	blob \| blame \| history \| raw
-rw-r--r--	72458	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_23.xml	blob \| blame \| history \| raw
-rw-r--r--	66538	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_3.xml	blob \| blame \| history \| raw
-rw-r--r--	78440	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_4.xml	blob \| blame \| history \| raw
-rw-r--r--	88432	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_5.xml	blob \| blame \| history \| raw
-rw-r--r--	81193	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_6.xml	blob \| blame \| history \| raw
-rw-r--r--	72458	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_7.xml	blob \| blame \| history \| raw
-rw-r--r--	72239	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_8.xml	blob \| blame \| history \| raw
-rw-r--r--	82673	ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_9.xml	blob \| blame \| history \| raw
-rw-r--r--	810	GenRestrTest_SimpleRestraintsGenerated.xml	blob \| blame \| history \| raw
-rw-r--r--	1211	GenconfTest_nbox_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	5361	GenconfTest_nbox_dist_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	1223	GenconfTest_nbox_norenumber_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	5356	GenconfTest_nbox_rot_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	343	GenionTest_HighConcentrationIonPlacement.xml	blob \| blame \| history \| raw
-rw-r--r--	343	GenionTest_NoIonPlacement.xml	blob \| blame \| history \| raw
-rw-r--r--	10061	GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml	blob \| blame \| history \| raw
-rw-r--r--	10045	GetIrTest_AcceptsElectricField.xml	blob \| blame \| history \| raw
-rw-r--r--	10047	GetIrTest_AcceptsElectricFieldOscillating.xml	blob \| blame \| history \| raw
-rw-r--r--	10047	GetIrTest_AcceptsElectricFieldPulsed.xml	blob \| blame \| history \| raw
-rw-r--r--	10043	GetIrTest_AcceptsEmptyLines.xml	blob \| blame \| history \| raw
-rw-r--r--	10043	GetIrTest_AcceptsImplicitSolventNo.xml	blob \| blame \| history \| raw
-rw-r--r--	10043	GetIrTest_AcceptsKeyWithoutValue.xml	blob \| blame \| history \| raw
-rw-r--r--	10053	GetIrTest_AcceptsMimic.xml	blob \| blame \| history \| raw
-rw-r--r--	10098	GetIrTest_HandlesDifferentKindsOfMdpLines.xml	blob \| blame \| history \| raw
-rw-r--r--	855	InsertMoleculesTest_InsertsMoleculesIntoEmptyBox.xml	blob \| blame \| history \| raw
-rw-r--r--	856	InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox.xml	blob \| blame \| history \| raw
-rw-r--r--	759	InsertMoleculesTest_InsertsMoleculesIntoExistingConfiguration.xml	blob \| blame \| history \| raw
-rw-r--r--	665	InsertMoleculesTest_InsertsMoleculesIntoFixedPositions.xml	blob \| blame \| history \| raw
-rw-r--r--	28880	InsertMoleculesTest_InsertsMoleculesWithReplacement.xml	blob \| blame \| history \| raw
-rw-r--r--	2338	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_0.xml	blob \| blame \| history \| raw
-rw-r--r--	1451	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_1.xml	blob \| blame \| history \| raw
-rw-r--r--	2066	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_2.xml	blob \| blame \| history \| raw
-rw-r--r--	2338	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_3.xml	blob \| blame \| history \| raw
-rw-r--r--	1451	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_4.xml	blob \| blame \| history \| raw
-rw-r--r--	2066	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_5.xml	blob \| blame \| history \| raw
-rw-r--r--	2338	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_6.xml	blob \| blame \| history \| raw
-rw-r--r--	1451	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_7.xml	blob \| blame \| history \| raw
-rw-r--r--	2066	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFileUsingIndexGroup_8.xml	blob \| blame \| history \| raw
-rw-r--r--	20411	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_0.xml	blob \| blame \| history \| raw
-rw-r--r--	11738	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_1.xml	blob \| blame \| history \| raw
-rw-r--r--	18078	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_2.xml	blob \| blame \| history \| raw
-rw-r--r--	20411	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_3.xml	blob \| blame \| history \| raw
-rw-r--r--	11738	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_4.xml	blob \| blame \| history \| raw
-rw-r--r--	18078	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_5.xml	blob \| blame \| history \| raw
-rw-r--r--	20411	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_6.xml	blob \| blame \| history \| raw
-rw-r--r--	11738	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_7.xml	blob \| blame \| history \| raw
-rw-r--r--	18078	SinglePeptideFragments_EditconfTest_ProducesMatchingOutputStructureFile_8.xml	blob \| blame \| history \| raw
-rw-r--r--	350	SolvateTest_cs_box_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	367	SolvateTest_cs_cp_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	367	SolvateTest_cs_cp_p_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	366	SolvateTest_shell_Works.xml	blob \| blame \| history \| raw
-rw-r--r--	579	SolvateTest_update_Topology_Works.xml	blob \| blame \| history \| raw