[gmx-users] Analysing of the trajectory using editconf

[James Starlight]

Sebastian, thanks works perfect!

James

2013/1/29 Sebastian Breuers <breuerss at uni-koeln.de>:
> Hey James,
>
> what do think of using trjconv
>
> 1- If you know how long your trajectory is, you could specify with -dump the
> time of the last frame. I think you can find out the length of your
> trajectory either with gmxcheck or trjconv -dump -1 (this will print out the
> time of the last frame).
>
> 2- -skip # takes only every #th frame.
>
> Best regards
>
>
> Sebastian
>
>
> On 29.01.2013 07:28, James Starlight wrote:
>>
>> Dear Gromac's users!
>>
>>
>> I have long trajectory with small intervals between individual
>> time-steps. Using editconf I'd like:
>>
>> 1- To extract last frame in pdb from my trajectory
>> (e.g for extraction of the first frame I'm using but its not working
>> with -dump -1 )
>>
>> 2- To convert my trajectory into xtc with larger time interval
>> beetween snapshots. E.g on the initial trajectory I wrote snapshots
>> with nstxout     = 1000 but I'd like to obtain output trajectory with
>> nstxout     = 3000. How It could be done?
>>
>>
>> Thanks for help,
>>
>> James
>>
>
> --
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>
> Sebastian Breuers               Tel: +49-221-470-4108
> EMail: breuerss at uni-koeln.de
>
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