AMBER Archive (2006)

Subject: Re: AMBER: NTT for production run

From: Vlad Cojocaru (
Date: Tue Mar 14 2006 - 02:44:35 CST


ntt=1 with a higher tautp (weak coupling) should be preferred ...
(please also check the amber tutorials ... there is a detailed
explanation there)


snoze pa wrote:

>Dear Amber users,
> What value of NTT is suitable for production MD run, ntt=1 or ntt=3.
>thanks in advance
>The AMBER Mail Reflector
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Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg, Germany
Phone: +49-6221-533266
Fax: +49-6221-533298

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