Re: AMBER: ntt parameter

From: David A. Case <>
Date: Wed, 1 Dec 2004 16:14:30 -0800

On Wed, Dec 01, 2004, tang kwa wrote:
> I would like to perform simulation which the distance
> is restrained. What is the difference between using
> NTT=1 and 3? Can I use NTT=3 in the explicit water
> system?

You should study the papers cited in the manual, under ntt=1, and gamma_ln.
It would not generally make good physical sense to use ntt=3 with explicit
water, but there might be situations where you would want to do that.
Neither option has much to do with distance restraints.


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Received on Thu Dec 02 2004 - 00:53:00 PST
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