[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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