Re: AMBER: NSNB parameter

From: David A. Case <>
Date: Sat, 24 Apr 2004 13:13:11 -0700

On Sat, Apr 24, 2004, Robert Duke wrote:

> In my opinion, the approach of updating the pair list at fixed intervals is
> outmoded.

Bob is correct, except that fixed pair list updates are still needed for
minimization, which is why such code is still there in sander. And everything
is set correctly automatically: there is generally no need for a user to
change the defaults. (An experienced user might occasionally do so for


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Received on Sat Apr 24 2004 - 21:53:01 PDT
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