[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 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

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