[gmx-users] extracting coordinates from traj.xtc
mahmaz71 at gmail.com
Tue Dec 1 14:21:27 CET 2015
Thank you Justin. I expected that only water molecules are written in .xtc
but all the others are there! g_traj -f traj.xtc -ox gives numbers like
1.64e-318 for all frames! How can I get real coordinates from .xtc?
On Tue, Dec 1, 2015 at 10:34 AM, mah maz <mahmaz71 at gmail.com> wrote:
> Dear all,
> I have some problems extracting data from traj.xtc. The command " g_traj
> -s -ox" doesn't give reasonable coordinates. I tried "trjconv" but again
> couldn't get any results. Note that I have nstxtcout = 1 and xtc_grps =
> water in my .mdp file.
> Any help is appreciated.
> Thank you!
More information about the gromacs.org_gmx-users