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