[gmx-developers] How to add my own force code into gromacs?

Mark Abraham Mark.Abraham at anu.edu.au
Fri May 9 11:45:51 CEST 2008

Catfish SUN wrote:
> Dear all,
> I am developing my own force code and want to add it to gromacs for
> testing first.
> the force is developed from statistical anlysis and writen in a
> tabulated form. It's something like the tabulated function listed in
> section 6.6 of the mannual except the algorithm is different.
> Now the question is where should I add my force code into gromacs and
> how to input the tabulated data so that I can use it in gromacs?

In what sense does your tabulated function need a "different" algorithm?


More information about the gromacs.org_gmx-developers mailing list