[gmx-developers] Modification of calculation of the force

Camilo Andrés Jimenez Cruz camilo.jimenezc at gmail.com
Sat Aug 8 23:22:51 CEST 2009

Hi everybody.

I would like your advise in modifying the source code of gromacs, in
such a way that the force is calculated by using a modified potential
that goes like V' = V + function(V), where function(V) is a simple
function of V (or Force = Force + function(Force)).

I just started checking the code, but I thought your help could save
me many days.

I am using gromacs-4.0.5, but I don't have a requirement to stick to
this version.

Thanks in advance!
Camilo Andrés Jiménez Cruz

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