AMBER Archive (2003)

Subject: Re: constraint + restraint

From: David A. Case (case_at_scripps.edu)
Date: Tue Jul 08 2003 - 12:33:35 CDT

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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David A. Case                     |  e-mail:      case_at_scripps.edu
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