[gmx-users] Merge Trajectories

John Shultz jackygrahamez at gmail.com
Sat Jun 19 19:38:30 CEST 2010


Hi GMX Users,

I am trying to merge some trajectories. Some of the trajectories are
not matching correctly. There is a discrepancy in the number of atoms.
Is there a way to report on the atom count for all these trajectories
so I can know which ones to exclude?

trjcat -f */*.xtc


-------------------------------------------------------
Program trjcat, VERSION 4.0.5
Source code file: gmx_trjcat.c, line: 100

Fatal error:

Different numbers of atoms (3884/3907) in files



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