[gmx-users] Re: Deshuffling of .xtc file

Ivano Eberini ivano.eberini at unimi.it
Mon Nov 29 12:25:39 CET 2004

Il giorno 29/nov/04, alle 12:00, gmx-users-request at gromacs.org ha 

> maybe, maybe not. Anyway then you do not need to deshuffle the protein
> because it will be correct.

I decided to save the full trajectory in the .trr file, but I needed a 
'more sampled' file for the protein and I saved it in the .xtc file. I 
thought I needed to deshuffle also this file (containing just the 
protein) before proceeding with the analysis.


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