[gmx-users] Merge Trajectories

[Justin A. Lemkul]

John Shultz wrote:
> 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?
> 

Use gmxcheck.

-Justin

> 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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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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