[gmx-users] g_traj time unit

Tegar Nurwahyu Wijaya tnurwahyuwijaya at gmail.com
Fri Mar 28 10:27:26 CET 2014


Dear GROMACS users,

I tried to extract box information from my simulation using the following
command.

g_traj -f dopc-dppc_noW.trr -s topol.tpr -ob box_dopc-dppc.xvg -tu ns -b 0
-e 1000

I expected to have 1000 ns as the maximum value on the x (time) axis.
However I got 1000000 as the maximum value. Then I tried the following
command.

g_traj -f dopc-dppc_noW.trr -s topol.tpr -ob box_dopc-dppc.xvg -tu ns -b 0
-e 100

Here I got 100000 as the maximum value. It seems g_traj failed to convert
the time unit from the trajectory value (ps) to ns as indicated in the
command. However g_traj successfully recognize the end of the trajectory to
be read exactly as I indicated in the commands above.

Is there any mistake in my commands or this is a bug of g_traj?

Thanks,
Tegar


More information about the gromacs.org_gmx-users mailing list