Testing gromacs
The tests described in the following tables were performed on June 15, 2025 to test whether the interface between gromacs and the master version of PLUMED is working correctly.
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 | |
Tests on virial
| Description of test | Status |
|---|---|
| PLUMED virial passed correctly | |
Tests on energy
| Description of test | Status |
|---|---|
| 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 |  |