Re: [AMBER] CHARMM format to Amber format

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 26 Jul 2011 19:26:46 -0400

Chamber converts psf files to amber topologies. That's the best you'll do. CHARMM and amber force fields have a (slightly) different functional form, so leap cannot create a charmm-like prmtop (only chamber can).

Hopefully this is what you were looking for.

All the best,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Jul 26, 2011, at 5:49 PM, David Cantu <cantudav.amber.gmail.com> wrote:
> Dear Amber Users and Developers:
> 
> I have a CHARMM (.top) and (.par) files that contain the parameters and
> charges of a substrate.
> 
> Can Amber read these files? Or is there a way to convert them to Amber
> format and/or mol2?
> 
> 
> Thanks,
> 
> David
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Received on Tue Jul 26 2011 - 16:30:04 PDT