[gmx-users] mirroring a trajectorie

Thomas Schlesier schlesi at uni-mainz.de
Tue May 17 18:05:58 CEST 2011

Hi all,
is it possible to mirror a trajectorie?

I have done pulling simulations, where i first pulled two molecules 
apart and later used the pulled them together (starting form the last 
frame of the pulling-(apart)-simulation).

Now want to calculate the rmsd of structures for the path. So i would 
like to compared first frame of pull-apart with last frame of 
pull-together ...

Only way i could think of, would be to write the .xtc into individual 
.gro-files, then order them and finally put them together to the 
mirrored .xtc
This should work, but probably there is an easier way of doing this?


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