[gmx-users] how to use the new potential
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Oct 22 17:31:28 CEST 2008
He, Yang wrote:
> Hi all users,
>
> I am engaged in deal with the course grain model,in which the potential functions are not the same as in gromacs.Hence, If I want to use the new potentials , I guess I can change the source code or use the table. But I never have this experience about that.Can anyone of you give me some suggestions or examples?
Start with the manual. :-) Hopefully the version 4 manual will be out
soon, but even if not, the 3.3 manual will be fine for nonbonded
tabulated potentials.
Mark
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