[gmx-users] (no subject)

sharada sharada at ccmb.res.in
Wed Jan 3 09:01:44 CET 2007


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
its taking 0ps to 10000ps only 
hoping for help
regards
sharada
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