[gmx-users] Water out of box? Negative Z-Coordinates
GtrAngus
maps99 at online.de
Thu Apr 3 16:00:32 CEST 2014
To conclude this theme:
Your code lines are great Tsjerk Wassenaar! But acutally, like Justin Lemkul
mentioned, will the xy correction destroy my dipols and I got the wrong
values. So I made my own code, just correcting the z-coordinates and now it
works :)
I also tryed trjconv again with:
> trjconv -f traj.trr -o traconv.trr -pbc atom -s topol.tpr
But this didn't work either.
Thank you all for ypur help! :)
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