[gmx-users] Tcoupl default setting

Charlie Forde charlie.forde at hotmail.com
Thu Apr 21 17:51:23 CEST 2011

Dear All,

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.


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