[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
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
Thanks in advance!
Camilo Andrés Jiménez Cruz
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