[gmx-users] energy and coordinates at different times

[Robert Fenwick]

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?

Cheers,

Bryn


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