Rename pdb2gmx tests
authorMark Abraham <mark.j.abraham@gmail.com>
Tue, 11 May 2021 05:02:52 +0000 (05:02 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Tue, 11 May 2021 05:02:52 +0000 (05:02 +0000)
commit285b6971a5f1e1fe4cd0fd0dc68b88fc2e387a2e
treeb5a535718f7868a01f70ed64eb049c425630534c
parent021ab5ec736e780a692435d1ed22ddcba02da746
Rename pdb2gmx tests
90 files changed:
src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_and_ter_merge_no_input_twofragmentspdb_format_pdb_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 95% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_merge_no_input_twofragmentspdb_format_pdb_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 95% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_twofragmentspdb_format_pdb_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 95% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_ter_merge_no_input_twofragmentspdb_format_pdb_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainChanges_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 95% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_and_ter_merge_all_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_and_ter_merge_no_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 74% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_merge_all_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_merge_no_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 67% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_all_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 60% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_ter_merge_all_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_ter_merge_no_input_chainTerpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ChainSep_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 67% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildnWithTip4p_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip4p_vsite_none_chainsep_id_or_ter_merge_no_input_tip4ppdb_format_gro_matchfullconfiguration_true_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildnWithTip4p_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_ff_amber99sbildn_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForAmber99sb_ildn_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_all_input_cyclicproteinsmallpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_all_input_cyclicrnapdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_cyclicproteinsmallpdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_cyclicrnapdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27CyclicSystem_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 74% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_ff_charmm27_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForCharmm27_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_12.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_13.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_14.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_15.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_8.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_9.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_10.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos43a1_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos43a1_Pdb2gmxTest_ProducesMatchingTopology_11.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spc_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_12.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_13.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_14.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_15.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_8.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_9.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_10.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_ff_gromos53a6_water_spce_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForGromos53a6_Pdb2gmxTest_ProducesMatchingTopology_11.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_4.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_5.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_6.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_7.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_0.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_1.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_2.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip3p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_3.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_12.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_13.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_14.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_15.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_8.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_9.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_10.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip4p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_11.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_20.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_21.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_22.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_h_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_23.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment1pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_16.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment2pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_17.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment3pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_18.xml with 100% similarity]
src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_ff_oplsaa_water_tip5p_vsite_none_chainsep_id_or_ter_merge_no_input_fragment4pdb_format_gro_matchfullconfiguration_false_.xml [moved from src/gromacs/gmxpreprocess/tests/refdata/ForOplsaa_Pdb2gmxTest_ProducesMatchingTopology_19.xml with 100% similarity]