Testing gromacs-vanilla
The tests described in the following table were performed on January 14, 2025 to test whether the interface between gromacs-vanilla and the master version of PLUMED is working correctly.
| Description of test | Status |
|---|---|
| MD code number of atoms passed correctly |  |
| MD code positions passed correctly | |
| MD code cell vectors passed correctly | |
| MD timestep passed correctly | |
| MD code masses passed correctly | |
| MD code charges passed correctly | |
| PLUMED forces passed correctly | |
| PLUMED virial passed correctly | |
| MD code potential energy passed correctly |  |
| PLUMED forces on potential energy passed correctly | |
| PLUMED contribution to virial due to force on potential energy passed correctly |  |