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
We currently remove velocity properties when not all molecules in the system have them, e.g. when combining molecules. The check makes sure that the total number of velocity properties (non-perturbable and perturbable) is not-equal to the number of molecules in the system. However, it is possible for a molecule to have both types of property, so we should instead check that the total number is not less than the number of molecules.
The text was updated successfully, but these errors were encountered:
We currently remove velocity properties when not all molecules in the system have them, e.g. when combining molecules. The check makes sure that the total number of velocity properties (non-perturbable and perturbable) is not-equal to the number of molecules in the system. However, it is possible for a molecule to have both types of property, so we should instead check that the total number is not less than the number of molecules.
The text was updated successfully, but these errors were encountered: