[gmx-users] trjcat problem
Xavier Periole
x.periole at chem.rug.nl
Fri Dec 3 15:01:35 CET 2004
vincenzo venditti wrote:
> Dear all,
> I've concatenated a 0-1ns trajectory file with the respective 1-4ns
> trajectory file using -settime option of trjcat command, but I've
> mistaken in setting the second starting time.
> Unfortunately I've missed the original trajectories. How can I do to
> readjust the times in the full trajectory file?
>
use trjconv -b XX -e YY to generate a traj from XX to YY. In other words
cut the simulation into pieces and concat it again ...
The option -t0 of trjconv also allows you to changes the starting time of
the simulation.
XAvier
--
----------------------------------------------
Xavier Periole - Ph.D.
Dept. of Biophysical Chemistry / MD Group
Univ. of Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands
Tel: +31-503634329
Fax: +31-503634800
email: x.periole at chem.rug.nl
web-page: http://md.chem.rug.nl/~periole
----------------------------------------------
More information about the gromacs.org_gmx-users
mailing list