[gmx-users] Integrity of .trr file + center coordinates

Eric Smoll ericsmoll at gmail.com
Mon Oct 27 05:41:08 CET 2014

Hello Gromacs users,

Beyond gmxcheck, how can I evaluate the integrity of a .trr file?

I have a .trr file that I am having difficulty postprocessing. I would like
to fix the cog/com in the center of the simulation box. trjconv -center is
not working. Is there some alternative?


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