[gmx-developers] external potential ?

[Pim Schravendijk]

--
Pim Schravendijk - PhD Student
Max Planck Institute for Polymer Research
http://www.mpip-mainz.mpg.de/~schraven/

On Wed, 11 Feb 2004, David van der Spoel wrote:

> On Wed, 2004-02-11 at 12:10, Pim Schravendijk wrote:
> > Actually I am interested in doing the same. I haven't looked into the code
> > of gromacs yet, but I know that at least in gromos there is a function
> > where all nonbonded interactions are calculated, and the resulting force
> > is added to the force array of the atoms, where this could be done.
> > 
> > Is there a gromacs function which would cover more or less these
> > calculations?
> > 
> modify calc_f_el in sim_util.c
> 
> 
> > Greetings, Pim