[gmx-users] flat-bottomed potentials

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Thu May 15 04:25:34 CEST 2014

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

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