[gmx-users] trjcat problem

pratibha kapoor kapoorpratibha7 at gmail.com
Fri Aug 28 15:34:13 CEST 2015


Dear all,

I would like to concatenate different parts of my *.xtc files into one
single file. But different parts have varying timesteps. Using trjcat I am
getting following error:

Reading frame       0 time    0.000
# Atoms  273474
Precision 0.001 (nm)
Reading frame   34000 time 68000.000
Timesteps at t=69100 don't match (2, 100)

Timesteps at t=106600 don't match (100, 200)
Reading frame   35000 time 121600.000

As far as I can understand, it is due to difference in timesteps between
these files. How can I rectify the problem?

Thanks


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