if I don't need to do convergence analysis, I will usually do ABFE(forwrev=None) and if I want to do convergence analysis, I will do ABFE(forwrev=10), these two ways of using ABFE are all fine. However, if someone does ABFE(forwrev=0) or ABFE(forwrev=False), the workflow will crash.
if I don't need to do convergence analysis, I will usually do
ABFE(forwrev=None)and if I want to do convergence analysis, I will doABFE(forwrev=10), these two ways of using ABFE are all fine. However, if someone doesABFE(forwrev=0)orABFE(forwrev=False), the workflow will crash.