| Description |
Usage |
| Description of module |
  |
Actions
The following actions are part of this module
| Name |
Description |
| ECV_CUSTOM |
Use some given CVs as a set of expansion collective variables (ECVs). |
| ECV_LINEAR |
Linear expansion, according to a parameter lambda. |
| ECV_MULTITHERMAL |
Expand a simulation to sample multiple temperatures simultaneously. |
| ECV_MULTITHERMAL_MULTIBARIC |
Expand a simulation to sample multiple temperatures and pressures. |
| ECV_UMBRELLAS_FILE |
Target a multiumbrella ensemble, by combining systems each with a parabolic bias potential at a different location. |
| ECV_UMBRELLAS_LINE |
Target a multiumbrella ensemble, by combining systems each with a parabolic bias potential at a different location. |
| OPES_EXPANDED |
On-the-fly probability enhanced sampling with expanded ensembles for the target distribution. |
| OPES_METAD |
On-the-fly probability enhanced sampling with metadynamics-like target distribution. |
| OPES_METAD_EXPLORE |
On-the-fly probability enhanced sampling with well-tempered target distribution in exploreation mode. |
