[gmx-users] extracting specfic trajectories?

minnale minnale_gnos at rediffmail.com
Sat Sep 13 23:43:27 CEST 2008

Thanks Justin for your prompt response,
I have issued the command
trjconv -f 5ns_trj.xtc -skip 1000 -o every1000steps.xtc, means the output trajectory will contain only 1000th step interval values till 5ns, excluding remaining. How can I know that whether generated trajectory file right or wrong?   
Thanks alot for any suggestion.
On Sat, 13 Sep 2008 Justin A.Lemkul wrote :
>minnale wrote:
>>  Hi all,
>>I have run the simulation with 100 steps interval in .log file till 5ns, now I want to extract the new trajectory file should conatin with 1000 steps inerval trajectories excluding remain steps. I want new trajectory like 1000, 2000, 3000, 4000, 5000,....... steps.
>>Could anyone tell me detail suggestion please.
>>Thanks in advance.
>Trajectory manipulations are done with trjconv.  Have a look at trjconv -skip.
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>-- ========================================
>Justin A. Lemkul
>Graduate Research Assistant
>Department of Biochemistry
>Virginia Tech
>Blacksburg, VA
>jalemkul[at]vt.edu | (540) 231-9080
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