[gmx-users] modify the Lennard Jones potential

[David van der Spoel]

Xinghua Shi wrote:
> Hi guys,
> 
> I want to modify the Lennard Jones potential, i.e. to add some term in
> this equation. I wonder if anyone know which source file should I
> modify.
> 
please be more specific. are you aware of the table potentials?
read the manual.


> Best regards
> 
> Xinghua
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se