Re: AMBER: shake option in sander

From: David A. Case <>
Date: Wed, 12 May 2004 12:11:53 -0700

On Wed, May 12, 2004, Lishan Yao wrote:

> I get a quick question about shake in sander. When I set NTC equal to
> 1, SHAKE is not performed for everything in the system? or just the
> solute but not the water molecules?

The ntc variable affects everything. There is no option to apply shake
just to the waters, but not to the solute.

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Received on Wed May 12 2004 - 20:53:01 PDT
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