[gmx-users] Green fluorescent protein's chromophore

bharat gupta bharat.85.monu at gmail.com
Wed Dec 5 14:25:17 CET 2012


You can refer this paper for the topology


On Wed, Dec 5, 2012 at 10:14 PM, James Starlight <jmsstarlight at gmail.com>wrote:

> Dear Gromacs Users!
> I'm looking for the model as well as for the pre-paired topology for
> any kind of GFP protein with the chromophore group covaletnly bonded
> in the interiour of that protein.
> Some times ago I've tried to make such models by hands but I've forced
> with some difficulties with the integration of the chromophore group
> to the existing GROMOS force field parameter files. In that case I had
> .itp for the chromophore group made by PRODRG which I've failed to
> convert to the rtp and integrate to other files in accordance to the
> http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
> So I'll be very thankfull if any could provide me with such model as
> well as suitable topology which I could use as the example for
> preparation of my future models :)
> Thanks for help
> James
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