[CP2K-user] How to remove repeated entries in -pos-1.xyz file from MetaD simulation?

Raghav raghavs... at gmail.com
Wed Apr 17 18:20:27 UTC 2019

Dear all,

I'm running a *Metadynamics* simulation and I *restarted* my calculations 
many times, as a result I have a lot of *repeated* entries in my -pos-1.xyz 
file.  For e.g steps 21 to 29 are repeated in the attached file as a result 
of restarting.

I have to perform analysis on the trajectory but for that I need to remove 
the *repeated *entries. Does anyone know how to do this? 

My system is very large and the trajectory as well, hence doing this 
manually is a daunting task.

Thanks and Regards,
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