AMBER Archive (2005)

Subject: Re: AMBER: Leap handling crystallographic waters

From: David A. Case (case_at_scripps.edu)
Date: Tue Nov 22 2005 - 14:08:39 CST

On Tue, Nov 22, 2005, Furse, Kristina Elisabet wrote:

> I guess I was thinking of the "fast water routines"--is that no longer
> operational in amber8?

There are special routines to carry out SHAKE contraints on waters, but none
of the other "fast water" routines from earlier versions of Amber are present.

...dac

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