HITS-MCM / gromacs-ramd

Random Acceleration Molecular Dynamics in GROMACS
GNU Lesser General Public License v2.1
32 stars 7 forks source link

Add regression test for 1WDHI example #7

Closed BerndDoser closed 5 years ago

BerndDoser commented 5 years ago

Found useful gtest fixture at src/programs/mdrun/tests/interactiveMD.cpp