[gmx-users] Tcoupl default setting
charlie.forde at hotmail.com
Thu Apr 21 18:02:22 CEST 2011
I had intended to perform an NPT simulation, however
although I selected a barostat I omitted to select a thermostat,
nevertheless I did set tc_grps= system, tau_t = 0.1 and ref_t= 300. My
temperature appears to fluctuate around the desired 300 K. My question
is, by setting tau_t and ref_t has a default thermostat also been
turned on by default and if so which one, or have I not performed an
NPT but rather an NPE simulation with my apparent well behaved
temperature just being coincidental. Needless to say there is no
mention of tcoupl in the output file.
Apologies for possible double posting
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