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
--
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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