Added basic tests for gmx msd
authorKevin Boyd <kevin.boyd@uconn.edu>
Sun, 16 Sep 2018 18:42:29 +0000 (14:42 -0400)
committerMark Abraham <mark.j.abraham@gmail.com>
Mon, 17 Sep 2018 07:36:07 +0000 (09:36 +0200)
commit80ee1e088b1cb09313f10aed09d04b264ec78766
tree46dcb93f2fcc097c8645a1f95cbacf7dff3a9271
parentacab0287159f13520749e19c1a930b030c23d8af
Added basic tests for gmx msd

Change-Id: I35d765d9a68d4723bf0a968d07453a268ed4e78a
src/gromacs/gmxana/tests/CMakeLists.txt
src/gromacs/gmxana/tests/gmx_msd.cpp [new file with mode: 0644]
src/gromacs/gmxana/tests/msd.ndx [new file with mode: 0644]
src/gromacs/gmxana/tests/msd_coords.gro [new file with mode: 0644]
src/gromacs/gmxana/tests/msd_traj.xtc [new file with mode: 0644]
src/gromacs/gmxana/tests/refdata/MsdTest_oneDimensionalDiffusion.xml [new file with mode: 0644]
src/gromacs/gmxana/tests/refdata/MsdTest_threeDimensionalDiffusion.xml [new file with mode: 0644]
src/gromacs/gmxana/tests/refdata/MsdTest_twoDimensionalDiffusion.xml [new file with mode: 0644]