[gmx-users] help about logfile

[cqgzc]

Hi Justin:
Thanks for your reply.
I checked the initial setting and the output file about simulation control
(mdout.mdp and .log file) and found that it's ok. There are some strange
results related to sample frequency (Statistics over *** steps using ***
frames in .log file) as described below:
                 Statistics over 1000001 steps using 40001 frames
where,
nsteps=100000,dt=0.001,nstlog=40,nstvout=40,nstxtcout=40,nstcalcenergy=50,nstenergy
=100
nstlist=10
                Statistics over 6001 steps using 481 frames
where,
nsteps=6000,dt=0.001,nstlog=15,nstvout=15,nstxtcout=15,nstcalcenergy=50,nstenergy=100
nstlist=10
Specially, when
nsteps=6000,dt=0.001,nstlog=50,nstvout=50,nstxtcout=50,nstcalcenergy=100,nstenergy=100
nstlist=10
It presented the following information: 
               Statistics over 6001 steps using 121 frames
Therefore, I really want to know how to control the sample frequency.


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