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

Catfish SUN catfish.hku at gmail.com
Fri May 9 11:39:29 CEST 2008


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?

Thanks a lot



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