[gmx-users] Catenation error

Qinghua Liao scorpio.liao at gmail.com
Fri Jan 5 13:16:56 CET 2018


I guess that the difference might come from different number of waters, 
you can first strip all waters from the trajectory files,
and then combine them all into one single trajectory file.

All the best,

On 01/05/2018 01:04 PM, suniba wrote:
> Hello experts and users
> I have performed 4 simulations of same system starting with different initial conformations. Now when I am trying to catenate the trajectories with gmc trjcat, It is showing error that can’t catenate multiple trajectories with different number of atoms. I am not sure why the atom number is different since the system is same in all cases.
> With Regards
> Suniba

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