You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
For correlated forces, the correlation is taken into account in the correlation matrix.
For independent forces, we want to avoid double counting, so force halving should be used. I think this should apply to all the torques (all the rotational motions are approximated as uncorrelated) and translational motion at the whole molecule level.
The text was updated successfully, but these errors were encountered:
For correlated forces, the correlation is taken into account in the correlation matrix.
For independent forces, we want to avoid double counting, so force halving should be used. I think this should apply to all the torques (all the rotational motions are approximated as uncorrelated) and translational motion at the whole molecule level.
The text was updated successfully, but these errors were encountered: