Thanks Stephan for your suggestions, A finally found a solution for distance larger than half the box size: 1) Regenerate the tpr files with pbc=no 2) Perform WHAM analysis with the umbrella forces (-if)
-- View this message in context: http://gromacs.5086.n6.nabble.com/umbrella-sampling-with-distances-larger-than-half-box-size-tp4998779p4998782.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
