[gmx-users] output control

Maryam Kowsar maryam.kowsar at gmail.com
Mon Oct 12 08:22:49 CEST 2015


Dear users,

I have a simulation which lasts in 2ns and has around 4G trajectory if Iset
nstxout = 1000. I need the output file of coordinates and velocities
written every step which means a 4000G output file! Is there a way that I
can manage the tarjectory so that only in the last 200ps of simulation it
is written every step? If not, can I set nstxout = 1000 and get data for
every step after the simulation?

Thank you.


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