Thermostat problems

From: Sarah Williams (slw2_at_soton.ac.uk)
Date: Tue Jul 20 2004 - 04:13:19 CDT

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I am experiencing discrepencies with the thermostat and so have tested it on a
equilibrated small system, with a low number of degrees of freedom. After
running a simulation for 50,000 steps at a target temperature of 300.0 K, an
average temperature of 300.8 K is obtained. This has been seen before on
several systems, where, a target temperature of 300.0 K has resulted in
temperatures of 300.8 K being consistantly obtained. Is this considered a
significant problem?

Regards

Sarah

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