[gmx-developers] rerun and temperature / pressure control?
Michael Shirts
michael.shirts at virginia.edu
Sat Nov 28 22:46:22 CET 2009
Hi, all-
It appears that for the code in the CVS, when running with -rerun, the
kinetic energies (and therefore the pressures) do not match the
original run. The energies, of course, still match. Is this the
desired behavior currently?
Best,
~~~~~~~~~~~~
Michael Shirts
Assistant Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
(434)-243-1821
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