AMBER Archive (2004)

Subject: Re: AMBER: NSNB parameter

From: David A. Case (case_at_scripps.edu)
Date: Sat Apr 24 2004 - 15:13:11 CDT

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
debugging...)

...dac

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