[gmx-users] GFP Simulation

Veera Krasnenko veera.krasnenko at ut.ee
Thu Sep 9 23:06:53 CEST 2010

> Dear Gmxers,
> I am working on a new project and I plan to do some molecular dynamic
> simulation on an engineered GFP molecule. I have been searching for the
> parameters for the GFP chromophore without success. Could some one help
> me? Any
> reference or parameters will be appreciated.

Nathalie Reuter, Hai Lin,and Walter Thiel
Green Fluorescent Proteins: Empirical Force Field for the Neutral and
Deprotonated Forms of the Chromophore. Molecular Dynamics Simulations of
the Wild Type and S65T Mutant

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