[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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