[gmx-users] GFP chromophore topology help

Ramachandran G gtrama at gmail.com
Wed Nov 10 00:18:48 CET 2010

Dear gromacs users:

        I have constructed the Amber03 force fields parameters
(bonds,angles, proper and imporer dihedral.....) for the chromophore
(p-hydroxybenzylidene-imidazolinone) inside GFP system and got the
topology. But after energy minimization of the system, the
conformation of the chromophore totally changed and the benzene and
imidazole ring got puckered although i did not got any error message.

Could anyone help me? Thank you.

with regards,

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