Re: What, if no temperatue control specified?

From: Mike McCallum (
Date: Thu Apr 22 2004 - 09:43:13 CDT


What happens to the T drift when you do have coupling? It might be
that the dissipation is limited, and you would only notice it compared
to strong coupling to a heat bath?

When your T changed from 350 to 407, was it a monotonic increase? How
many steps was this particular simulation?



C. Michael McCallum               
Associate Professor
Department of Chemistry, UOP
mmccallum .at. pacific .dot. edu                (209) 946-2636 v  / 
(209) 946-2607 fax

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