| MAX_STEPS | |
| Specify the maximum number of MD steps | |
| This optional keyword expects an integer. Default value: 100 | |
| TIMESTEP | |
| timestep 1.0 | |
| The length of an integration step | |
| This optional keyword expects a real. Default unit: [fs], default value: 4.9999999999999994E-01 fs | |
| TEMPERATURE | |
| Specify the initial temperature | |
| This optional keyword expects a real. Default unit: [K], default value: 0.0000000000000000E+00 K |