[gmx-users] (no subject)

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 3 09:46:06 CET 2007


sharada wrote:
> Hello gmx_users,
> 
> I wish you a very happy and prosperous new year 2007.  I have a very 
> fundamental question in trjcat usage. I have two *.trr files of 5ns and 
> 10 ns runs . I  would like to concanate the two and make a 15ns trr 
> file. How to give the command so that the starting time of the 10ns file 
> should be 5001ps and not 0ps and end time is 15000ps and not 10000 ps.  
> May this is a trivial question. Kindly help.  I have tried using the 
> following command :
> trjcat -f nchnp3_5npep.trr nchnp3_10pep.trr -settime -o nchnp3_15pep.trr 
> -b 0.00 -e 15000

It's just like the command line utility cat... it will do a straight 
concatenation.

trjcat -f 5n.trr 10n.trr -o 15n.trr

should do what you want.

Check using gmxdump , of course

Mark



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