minnale wrote:
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?
The value passed to -skip is the number of frames to skip, not necessarily the
time interval or number of steps that are skipped.
You can check the resulting trajectory with gmxcheck.
-Justin
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.
>
>-Justin
>
>>
>>
>>Ebay
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>>
>>
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>-- ========================================
>
>Justin A. Lemkul
>Graduate Research Assistant
>Department of Biochemistry
>Virginia Tech
>Blacksburg, VA
>jalemkul[at]vt.edu | (540) 231-9080
>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
>========================================
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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