krikr808/MD — comment on commit 25e6c35ef870dd0c41cc74676b1599d1d967f3a8
File: MD/mdsystem.cpp line 805
By krikr808:

I see that the formula has been multiplied by nrparticles^2, this looks more correct.

Another thing is that nrinst is probably way to little in order to obtain a good value of T2. As nrinst is currently used (which is to control the filtering of many of the sampled properties), it needs to be large enough to span many "swings" (fluctuations forth and back) in the variables that are being filtered, in order to give good values of the measured properties.

I would measure the time between, say, 10 "swings", calculate the number of time steps that time corresponds to, and set nrinst to that. That might give better values for some of the properties that are being measured.