Re: How to choose force field?

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
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.

cheers,
   axel.

DAV>
DAV> Thank you,
DAV> Diego A. Vargas
DAV>

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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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