Dear Gromacs users, I have a query regarding the number of bins used in wham analysis.
If I have performed by simulations over 15 umbrellas (15 different staring structures), what should be the ideal number of bins to perform wham analysis? Does it depend on the number of umbrellas. For example: 1) Should I use more than 15 bins in my case, and the one that gives proper overlap in histogram ? 2) Or any number of bins (even if it is less than 12) can be used, if I get proper overlap in my histogram output? Any suggestion is appreciated. -- Thanks and regards, Neeru Sharma -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
