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hi again,
<p>I used now a small test system consisting of approx. 2.600 (spc)water
molecules at a temperature of 300K, pressure 1bar. Restarting from the
gro-file after a short equilibration period (with delta t=2fs) with a delta
t of 2fs and 0.5 fs, respectively, results in a temperature increase of
about 2K for the smaller time step.
<p>Best regards,
<br>Rainer
<pre>--
Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
Am Faßberg 11
D-37077 Göttingen
Tel.: +49(551)201-1141, Fax.: +49(551)201-1089
email: rboeckm@gwdg.de</pre>
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