[gmx-users] help about logfile

guozhicheng222 guozhicheng222 at 126.com
Mon Nov 11 11:04:23 CET 2013


Hi

I am confusing with the output file (.log) about the sample frequency (frames) in my simulation. The average information in .log file is 'Statistics over 300001 steps using 3001 frames' where nstxout =4000 and nstlog =4000. While, 'Statistics over 300001 steps using 20001 frames', appeared in .log file, where nstxout =15 and nstlog =15. In my opinion, the former sample frequency should be 75 frames rather than 3001 frames and the latter is right. I want to know how can I control the sample frequency, arbitrarily.


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