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
Until HOOMD becomes a properly importable package, it might be easier to play with OpenMM because we could call it directly within Python. It also happens to be easier to install for now (until HOOMD gets a conda package). My main question is does the run command release the GIL or are there other ways to launch multiple simulations without having to go out to a file. If it is indeed simple, then performance is the next question.
The basics are outlined here and tabulated functions are added via CustomNonbondedForces.
The text was updated successfully, but these errors were encountered:
Until HOOMD becomes a properly importable package, it might be easier to play with OpenMM because we could call it directly within Python. It also happens to be easier to install for now (until HOOMD gets a conda package). My main question is does the run command release the GIL or are there other ways to launch multiple simulations without having to go out to a file. If it is indeed simple, then performance is the next question.
The basics are outlined here and tabulated functions are added via
CustomNonbondedForce
s.The text was updated successfully, but these errors were encountered: