Hi Dear Gromacs Users, I am running a umbrella samplimg simulation with gromacs 4.6.5, this simulations is a molecule permeating an ion channel, i decided to use X Y position restraints 400KJ , but i am not pretty sure if this kind of bias if a real mistake, i was wondering if anyone know how to use de fbposred function (bondfree.c) from gromacs 5, in order to use it with gromacs 4.6.5, in order to get a Flat bottomed potential ,
Because i dont want to affect to much my PMF calculation Thanks in advace -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
