[gmx-users] Extract only last frame from a trr
CLARK NICOLAS Joan
J.Clark-Nicolas at ed.ac.uk
Tue Aug 22 16:58:30 CEST 2017
Dear gmx users,
Probably a silly question, but I have been having some trouble finding an answer.
I would like to use trjconv to extract the last snapshot from the trr trajectory of a crashed simulation. Thing is, I want to do it with a script and without knowing exactly when the simulation crashed, so I am looking for an option in trjconv that makes it go directly to the last frame.
Another way to do it, since my calculations crash due to LINCS WARNINGS (which I know the reason for), would be to gently terminate the calculation when I get the first warning and print the corresponding gro file.
Is there any way to do it?
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