Open lfelberg opened 8 years ago
It seems like PBAM is taking a long time to run for larger systems (1BRS with 125 molecules). Need to look into this and try tinkering with the #poles and convergence criteria.
It seems like PBAM is taking a long time to run for larger systems (1BRS with 125 molecules). Need to look into this and try tinkering with the #poles and convergence criteria.