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
Hi, I was wondering what you recommend doing to add positional restraints during simulations (e.g. to protein heavy atoms, or ideally to a custom restraint mask). Such restraints don't seem to be a part of RelativeHybridTopologyProtocol/OpenMM Protocol Settings.
Edit: Just saw #1008 , we can consolidate discussion there.
reacted with thumbs up emoji reacted with thumbs down emoji reacted with laugh emoji reacted with hooray emoji reacted with confused emoji reacted with heart emoji reacted with rocket emoji reacted with eyes emoji
-
Hi, I was wondering what you recommend doing to add positional restraints during simulations (e.g. to protein heavy atoms, or ideally to a custom restraint mask). Such restraints don't seem to be a part of RelativeHybridTopologyProtocol/OpenMM Protocol Settings.
Edit: Just saw #1008 , we can consolidate discussion there.
Beta Was this translation helpful? Give feedback.
All reactions