VMD-L Mailing List

From: Salvatore Mario Cosseddu (S.M.Cosseddu_at_warwick.ac.uk)
Date: Wed Jul 24 2013 - 05:33:12 CDT

Hi,

I've never tried to do what you report, but I rely on your experience
and it sounds reasonable.
Catdcd "concatenate" the input files you provide. I don't know if there
is a command within catdcd, but if anyone else provide a better answer,
you can overcome with a simple bash for loop

Note I haven't tested it... debug it if necessary 

----
inputfilelist="inputfile1 inputfile2 inputfile3"
trajs=""
for dcd in inputfilelist
do
     catdcd -o tmp${dcd} -first 2 $dcd
     trajs="$trajs tmp${dcd}"
done
catdcd -o outputfile $trajs
---
Depending on the size of your dcd files, it might require time, and for 
sure it require quite a lot of free space.
Salvatore
On 23/07/13 15:30, R. Charbel MAROUN wrote:
> Hi catdcdoers,
>
> When I use
>
> catdcd -o outputfile  -first 2 -inputfile1 inputfile2 ...
>
> catdcd ignores the first frame only of inputfile1. How could I have 
> catdcd ignore ALL the first frames of each inputfile file?
>
> Cheers,
-- 
Salvatore Cosseddu
PhD student
Centre for Scientific Computing and School of Engineering
University of Warwick
Coventry CV4 7AL
United Kingdom
email: S.M.Cosseddu_at_warwick.ac.uk