Dear all, I would like to calculate the PMF along a curved reaction pathway using umbrella sampling. I just wonder if it is appropriate to use g_wham to extract the PMF along the curved pathway? Any help would be appreciated.
Hao Jiang -- 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
