[gmx-users] GFP chromophore topology help

[Ramachandran G]

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,
Rama