[gmx-users] g_traj

[Sukit Leekumjorn]

Thank you for your reply.

If you look closely, below is the step that I got by using -dt 10 option.

0, 10, 20, skip
40, skip
70, 80, skip
130, 140,  150, 160, skip
260, 270, 280, 290, 300, 310, 320, skip
end

Note that it skips around from 0-500 ps. 

Basically, I just want to reduce the output file size by reducing timestep.

Thanks,
Sukit


leafyoung81-group at yahoo.com wrote:

>--- Sukit Leekumjorn <leekumjo at vt.edu> wrote:
>
>  
>
>>Dear gmx-users
>>
>>I am trying to used the g_traj command to print out
>>coordinate of 
>>certain atom. Basically, I do not want to print out
>>the coordinate at 
>>every timestep. Can anyone explain how -dt works or
>>is there a better 
>>way to skip timestep?  This is what I did:
>>
>> g_traj_d -f 4md11combine.trr -s 4md11.tpr -n
>>4PE.ndx -ox 4corrdPE.xvg 
>>-b 0 -e 500 -dt 10
>>
>>The print out shows coordinates at time 0, 10, 20,
>>40, 70, 80, 130, 140, 
>>150, 160, 260, 270, 280, 290, 300, 310, 320. If I
>>did not specify -dt, 
>>the print out shows coordinates at time from 0, 2,
>>4, 6, 8, 10,......500.
>>    
>>
>It is not clear about your objective. I did see -dt
>skips every 10 ps  (you may change to another time
>unit by -tu). Is this not what you want?
>
>  
>
>>Any help would be greatly appreciated.
>>Sukit
>>
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>>
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