[gmx-users] gmx traj output
Mohsen Ramezanpour
ramezanpour.mohsen at gmail.com
Tue Apr 24 05:08:47 CEST 2018
Hi Gromacs users,
I am using gmx traj to get the box size (X, Y, Z).
I use the following command:
echo 0 | gmx traj -f trajectory.xtc -s md.tpr -ob box.xvg -xvg none
The output has 77 columns.
1st is the time step,
2nd, 3rd, and 4th seem to be the X, Y, and Z size of the box.
I was wondering what are the 5th, 6th, and 7th columns giving, exactly?
Cheers,
Mohsen
--
*Rewards work better than punishment ...*
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