1

Answer from @user1271772, converted from comment: Try on this site: https://mattermodeling.stackexchange.com/questions/tagged/gromacs. There's an entire GROMACS tag there. Answer from @vishal-kumar-sahu, converted from comment: Try running/resuming using -cpi the simulation again, I got NaN error and rerun kept continued.


Only top voted, non community-wiki answers of a minimum length are eligible