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<BR>
Thanks Justin for your prompt response,<BR>
I have issued the command<BR>
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? <BR>
Thanks alot for any suggestion.<BR>
On Sat, 13 Sep 2008 Justin A.Lemkul wrote :<BR>
><BR>
><BR>
>minnale wrote:<BR>
>> Hi all,<BR>
>>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.<BR>
>>Could anyone tell me detail suggestion please.<BR>
>>Thanks in advance.<BR>
>><BR>
><BR>
>Trajectory manipulations are done with trjconv. Have a look at trjconv -skip.<BR>
><BR>
>-Justin<BR>
><BR>
>><BR>
>><BR>
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>-- ========================================<BR>
><BR>
>Justin A. Lemkul<BR>
>Graduate Research Assistant<BR>
>Department of Biochemistry<BR>
>Virginia Tech<BR>
>Blacksburg, VA<BR>
>jalemkul[at]vt.edu | (540) 231-9080<BR>
>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<BR>
><BR>
>========================================<BR>
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