VMD-L Mailing List

From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Thu Jul 09 2009 - 11:46:48 CDT

Hi all,
I need to run MD of several protein-ligand complexes, and I wonder if
there is a general purpose compound parameter preparation tool. I did
see a parameterization interface included with VMD, but it requires
Gaussian/GAMESS (which we don't have).
For use with Amber, I could do it with antechamber. Is there anything
similar that could be used to get compound parameters for NAMD?

Thanks for your help

Sasha