Testing gromacs-vanilla
The tests described in the following tables were performed on June 15, 2025 to test whether the interface between gromacs-vanilla and the master version of PLUMED is working correctly.
WARNING: gromacs-vanilla does not pass the energy to PLUMED
Basic functionalities
| 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 | |
Tests on virial
| Description of test | Status |
|---|---|
| PLUMED virial passed correctly | |