[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

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


	
		
______________________________________________________
Click here to donate to the Hurricane Katrina relief effort.
http://store.yahoo.com/redcross-donate3/



More information about the gromacs.org_gmx-users mailing list