[gmx-users] chromophore parameters for Molecular Dynamics

[Justin A. Lemkul]

Quoting Anthony Cruz <acb15885 at uprm.edu>:

> Hi users:
> I am working in a new projec and we plan to do some molecular dynamic
> experiment to an engineered GFP molecule.  I have been searching for the
> parameters for the GFP chromophore without success. Can some one help me? Any
> reference or parameters??

Unless someone has already developed them, you'll have to do it yourself (not an
easy task).  See here:

http://wiki.gromacs.org/index.php/Exotic_Species

and

http://wiki.gromacs.org/index.php/Parameterization

-Justin

>
> Best Regards,
> Anthony
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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