Peter Varnai writes:
>
>Ptraj can combine trajectories with the following commands:
>trajin one.trj
>trajin two.trj
>[some operations like strip etc]
>trajout three.trj
>
>But this file will include the box size after each coord sets,
>which carnal and visualization programs don't like, so you should
>remove them with something like awk:
>(((NR-1)%236!=0) {print($0)}' three.trj > three_nobox.trj
No, for this, you could just use the ptraj "nobox" option:
trajin one.trj
trajin two.trj
trajout three.trj nobox
>
>I must admit, I could not get carnal combine trajectories as it was
>suggested in the examples:
>STREAM s1 a1.trj a2.trj a3.trj;
>
>due to segmentation fault...
>
>I hope this helps!
>
>Peter Varnai
>
>PS: have you tried the unix merge command to combine big files or
> cat file1 file2 > file3
That won't work, the file2 starts with a title, and you end up with a title embedded within your
trajectory. Perhaps judicious use of the head or tail command would let you do this.
Received on Wed Mar 28 2001 - 08:10:30 PST
