[gmx-users] (no subject)

[Caterina Arcangeli]

Hi,
using the command:
trjcat -f nchnp3_5npep.trr nchnp3_10pep.trr -o nchnp3_15pep.trr -settime

the program will ask you the start time of each file. Try putting "5001"
for the first file and "c" (continue) for the second file.
It should be work.

Ciao
Caterina



Mark Abraham wrote:
> 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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-- 
Caterina Arcangeli
ENEA, Computing and Modelling Unit (CAMO)
Casaccia Research Center - Post Bag 026
Via Anguillarese 301 - 00060 Roma
phone +39 06.3048.6898
fax   +39 06.3048.6860
http://www.enea.it