AMBER Archive (2005)

Subject: AMBER: MD without a thermostat

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Thu Dec 01 2005 - 09:32:57 CST

Dear ambers,
   I am trying to setup a simulation without a thermostat after a
equilibration step using Langevin dynamics. Before doing so, I would
like to ask you whether the temperature will be still printed out in the
output even if ntt is not set...

Best wishes
vlad 

-- 

          Dr. Vlad Cojocaru
          EML Research gGmbH
          Molecular and Cellular Modeling Group
          Villa Bosch
          Schloss-Wolfsbrunnenweg 33
          69118 Heidelberg
          Germany
          Phone: +49-6221-533266
          Fax: +49-6221-533298
          e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de
          <mailto:Vlad.Cojocaru_at_eml-r.villa-bosch.de>
          Additional info: my home page
          <http://projects.villa-bosch.de/mcm/people/cojocaru/>

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