[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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