[gmx-users] coordinates file format

mah maz mahmaz71 at gmail.com
Mon Jan 26 09:38:55 CET 2015

Hi Mark,
I want to have X Y Z of each atom for all time step apart from other atoms
so that I can use them as data for programing; like this for instance:
t    x1 y1 z1          x2  y2  z2
0    2.4 3.5 4.5       5.6 7.9 9.8
0.1  5.5 6.7 8.9
in which 0 and 0.1 are time and the rest are x1 y1 z1 of the 1st atom and
x2 y2 z2 are for the 2nd atom.
Is it possible to get the file in a desired format?
thank you!

On Mon, Jan 26, 2015 at 11:54 AM, mah maz <mahmaz71 at gmail.com> wrote:

> Dear all,
> I have extracted a file of coordinates after a simulation with 1000000
> steps writen every 1000 steps, by "g_traj -s -ox" . The result is a file in
> which the first column is time and all coordinates are following it. Is
> there a way that I can get coordinates of each time step in a more
> classified way?
> Thanks!

More information about the gromacs.org_gmx-users mailing list