On Tue, 7 Oct 2008 11:39:45 -0400
"rams rams" <[EMAIL PROTECTED]> 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
-----------------------------------------------------
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