Date: Wed Jul 18 2007 - 13:02:31 CDT
Searching through the NAMD documentation and the mailing list, I've been
unable to find where I would look to make sure that energy conservation is
being enforced in the extended system when using either a thermo- or
barostat for NVT or NPT simulations. My understanding is that TOTAL,
TOTAL2 and TOTAL3 are only telling you about the sum of the PE and KE for
the direct system.
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