[gmx-users] Fwd: Centering a molecule

[spss4 at iacs.res.in]

Hi all
I want to center my molecule into a rectangular box after final mdrun by
GROMACS. I am using the following command:
gmx trjconv -f  traj.trr -s md.tpr -center -pbc  mol -b 100 -e 120 -o 
test.gro 
But output  shown is still out of the box. This command works for cubic
box. Is there anything different flag for rectangular box? My box size is
5 5 7.

Thanks
Sunipa
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Subject: Centering the molecule
Date: Mon, 04 Jun 2018 13:52:25 +0530
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