[gmx-users] mirroring a trajectorie
schlesi at uni-mainz.de
Tue May 17 18:05:58 CEST 2011
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
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
This should work, but probably there is an easier way of doing this?
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