Removing of global motion after MD

User discussions
1

GROMACS version: any
GROMACS modification: Yes/No

Hi all,

I would like to know if gromacs proposes some solutions for removing the global rotation and translation after the MD has been performed. Indeed, I can see my protein drifting during the course of my MD and I would like to get rid of this extra motion. I checked at trjconv but could not see any option that could do the job.

Thanks in advance

2

gmx trjconv -fit rot+trans does this.

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3

Oups sorry for having missed that … Thanks a lot for your help.