[gmx-users] Gay-Berne potential in GROMACS

Zhenhai Li shibalagu.thu at gmail.com
Thu Jun 25 07:09:38 CEST 2015


Dear All,

Does anyone used Gay-Berne Potential in GROMACS before? Do I have to change
the code to use this potential?

I ask this question because:
Recently I am planing to do some Coarse-grained simulation with Gay-Berne
potential. Since I have some experience with GROMACS, I think it will be
easier for me to keep using this package. However based on my
understanding, GROMACS doesn't support Gay-Berne potential. And I searched
the mailing list, didn't find clear answer to this. I am wondering if
anyone has used this potential before. Or maybe I am wrong, actually
GROMACS support this potential?

Thank you very much.

-- 
Zhenhai


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