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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