[gmx-users] Problem control output for checkpoint file

Vy Phan phanvy120690 at gmail.com
Tue May 19 15:25:00 CEST 2015

Dear Gromacs Users!
I am a beginner. I am looking for the command line corresponding with
nstcheckpoint (control the output of the checkpoint file) in the Gomacs
5.0.4 but I coudn't find. And when I check the log file, I also can not
recognize what command line which controls cpt file.

The second question, when I run energy minimization I got only one frame, I
try to reduce the frequency saving the coordinates but I still get the same
result (it look the control output did not working ). I want to save more
frame to see what happen in the energy minimization step . Can some one
help me?

The third question, I want to generate only the xtc file (I do not want to
generate the trr file). What command I need to use for Gromacs 5.0.4 ? (I
know the command constxtcout when I search on google, but I can not find
the information for it on gromacs manual 5.0.4)

Thank you so much and best regards,
Tuong Vy

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