[gmx-users] trjconv -fit progressive

edesantis edesantis at roma2.infn.it
Fri Sep 8 17:57:13 CEST 2017

Hi gromacs users,

I removed the boundary effects on my system box during the trajectory of 
protein crystal simulation following the Suggested trjconv workflow


then I need to fit the trj to remove rotations and translations (my 
propose is to reproduce a scattering pattern of the crystal, so I want 
that all frames are superimposable)

so I tough to use -fit rot+trans

looking at the trjconv manual I've seen also the flag -fit progressive,
but actually I didn't understand what does this operation do,
do you know it?

thank you in advance for your help,

Emiliano De Santis

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