[gmx-users] trjcat

[Xavier Periole]

On Tue, 7 Oct 2008 11:39:45 -0400
  "rams rams" <rams.crux at gmail.com> wrote:
> Dear Users,
> 
> I tried to create a trajectory file from a set of pdb files (infact several
> of them) starting from time frame 0 to lets say 100 with an interval of 1ps
> each. If I use the following command,
> 
> trjconv -f  0.xtc 1.xtc ......100.xtc -o .xtc
> 
> its resuling only one frame (I think its not stiching them).
> 
> If I use "-settime" along with the above command, it is stiching all the
> frames, but its asking for the start time for each frame. Its really
> difficult to mention the start times for several hundred frames. Is there
> any way we can handle this.
generate a file let say toto containing:
1
2
3
4
5
6
...
100

and then run trjcat -f ... -settime < toto
> 
> Thanks.
> Ram.

-----------------------------------------------------
XAvier Periole - PhD

- Molecular Dynamics Group -
NMR and Computation
University of Groningen
The Netherlands
-----------------------------------------------------