Re: How to choose force field?

From: Axel Kohlmeyer (
Date: Wed Oct 15 2008 - 10:57:01 CDT

On Tue, 14 Oct 2008, Diego Alejandro Vargas wrote:

DAV> Hi,
DAV> I am working on a minimization and equilibration simulation of fascin, and I
DAV> don't know how to pick the force field. From the manual I understand that
DAV> either CHARMM 19,22, or 27 could be used, but where can I find how these
DAV> differ?

please read the publications describing them.

there are, in fact, plenty more force fields that
you could potentially use. which one is the best
is frequently a matter of opinion rather than fact.


DAV> Thank you,
DAV> Diego A. Vargas

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

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