biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: ab5befb) | patch
Add basic position restraints test
authorKevin Boyd <kevin44boyd@gmail.com>
Tue, 13 Apr 2021 08:26:05 +0000 (08:26 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 13 Apr 2021 08:26:05 +0000 (08:26 +0000)
commit6db309896255b1052ea24123e77474997aa990ed
tree03d0888c24b9cf021bae05b432b32be9b82dce81tree | snapshot
parentab5befb379b103550735c4d166e44cd595575104commit | diff
Add basic position restraints test
src/gromacs/listed_forces/tests/CMakeLists.txt diff | blob | history
src/gromacs/listed_forces/tests/position_restraints.cpp [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_0.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_1.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_2.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_3.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_4.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_5.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_6.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_7.xml [new file with mode: 0644] blob
src/gromacs/listed_forces/tests/refdata/PosResBasicTest_PositionRestraintsTest_BasicPosResNoFreeEnergy_8.xml [new file with mode: 0644] blob
Local GROMACS mirror with custom stuff