VMD-L Mailing List
From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Thu Jul 09 2009 - 11:46:48 CDT
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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
- Next message: saam: "Need GAMESS logfiles for testing VMD's new QM interface"
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- In reply to: Peter Freddolino: "Re: autopfs: unknown atom type error when processing ATP"
- Next in thread: Peter Freddolino: "Re: NAMD setup for organic compounds"
- Reply: Peter Freddolino: "Re: NAMD setup for organic compounds"
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