[gmx-users] energy and coordinates at different times

Robert Fenwick robert.fenwick at irbbarcelona.org
Tue Feb 10 12:33:29 CET 2009

Dear All,

I am starting some simulations and would like to write out some
coordinates more frequently than others, is this currently possible.
Below is how I envisaged using the commands, however it seems that I
don't quite understand. Is something like this possible and how do I
implement this?



nstxtcout       = 1000 50 1
nstenergy       = 1000 50 1
xtc_grps        = System Protein N_H
energygrps      = System Protein N_H

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