On Tue, Oct 30, 2018, Thomas Evangelidis wrote:
> is there any direct way to write the last MD frame to
> the right crd format?
You can use the "lastframe" keyword to trajin in cpptraj:
trajin mytraj.trj lastframe
trajout mylastframe.rst7 restart
That will output the last frame of a trajectory file in restart (rst7) format.
(Not sure if this is exactly what you are looking for or not....)
....dac
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Received on Tue Oct 30 2018 - 19:00:02 PDT
