What box type are you using? Try adding following options
-center -pbc mol -ur compact
kind regards,
servaas
Hi all,
During my MD the molecule experience a drift. Now I want to put the
molecule at the center of the water box.
I tried with trjconv using the -pbc mol and -center flag and using a
reference frame where the molecule is at the center of the box.
It seems that all the box (water+molecule) is translated, and so the
position of the molecule relatively to the box is unchanged.
I also checked the gmx-users list and I didn't get any useful
suggestion.
Fabio
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