[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties

Maik Goette mgoette at mpi-bpc.mpg.de
Wed Feb 6 09:23:45 CET 2008


Sorry, with this question, probably no one can help you.
You're probably missing a FF entry. Which FF are you actually using?
Search the mailing list/Wiki for how to parametrize a molecule!

Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/


Eddie Mende wrote:
> Greetings
> 
> I am trying to generate a topology file, and
> need to add the phosphate ion in my pdb
> 
> How to do this?
> 
> Thanks
> 
> eduardo Graduate minion
> some random prestigious program
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