Dear Gmx Users, I got confused about reading free energy difference from PMF curve. It is the difference between maximum value on PMF curve (plateau - final state) and the starting point corresponding to minima.
So e.g. my curve starts at 0 [kcal/mol] going staright to minima of -2 kcal/mol and then increase obtaining plateau of 14 kcal/mol. DeltaG = -16 kcal/mol or -12 kcal/mol ? Please clarify me this, Steven -- 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
