system rotates after equilibration

From: Gordon Wells (gordon.wells_at_gmail.com)
Date: Fri Mar 03 2006 - 03:21:30 CST

Hi

The system (15500 atoms) I'm trying to simulate rotates during the production
run. Equilibration was from 60-310 K for a total of 200 000 steps. Also the
tempereture increases during the production run. For the moment the setup is
quite simple: in vacuo, and no PBC, solvent or langevin. Could this be a
problem?

--
Gordon Wells
Bioinformatics and Computational Biology Unit
Department of Biochemistry
University of Pretoria

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