Re: constraint + restraint

From: David A. Case <case.scripps.edu>
Date: Tue, 8 Jul 2003 10:33:35 -0700

On Tue, Jul 08, 2003, tang kwa wrote:

> how many step we could use for finding energy minimum?

There is no universal answer: it depends on the force field and (in
particular) on how big and how floppy the molecule is. With the amber
conjugate gradient minimizer, macromolecules can take thousands of cycles.

...hope this helps...dac 

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Received on Tue Jul 08 2003 - 18:53:01 PDT
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