[gmx-users] To trjcat or not to trjcat

Alex nedomacho at gmail.com
Thu Dec 15 01:23:27 CET 2016

Hi all,

I have 20 simulated trajectories of equal duration (10 ns, frames are
output every 50 ps), each subsequent simulation started from the output
.gro of the previous. I can explain why, but it's likely to be immaterial.

The goal is to have one complete trajectory that consists of all the parts
in the correct order. This does not seem possible with -append, so at the
moment it's basically a sequence of pretty much independent simulations,
followed by trjcat. The latter requires using -settime and then becomes
interactive. Is there a way to achieve what I need in a way that will not
require this strange procedure? In other words, is there a way to
_automatically_ properly offset the frames of all simulations, except for
the very first one? That is, the offset for N-th (N=1:20) frame would be

Thank you!


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