[gmx-users] about protonation state

Cesar Lopez inmuno_cl at yahoo.com
Thu Sep 8 23:15:35 CEST 2005

Dear Gromacs users:

I have been using the ff G43a1 for a simulation with
an hydrolase. Now I need a Cys residue without proton,
I've read in the list that this ff doesn't have the
topology for this residue, but actually it exist. The
problem is I don't know how to asign that toopology in
my pdb, any sugestion?

Cesar Lopez Bautista
Research Assistant
Bioinformatics and Computational Biology Unit
Universidad Peruana Cayetano Heredia

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