Re: [gmx-users] trjconv(extraction of certain frames)

[Florian Haberl]

hi,

On Friday 12 January 2007 13:17, OZGE ENGIN wrote:
> Hi,
>
> I have a question about the trjconv command.  I simulated my system for 30
> ns, and  got 30 frames. Now, I want to extract some frames from that
> whole: beginning at every 70 th ps lengthing to the 80 th ps, and to write
> them in a pdf file.

what kind of value do you want to analyse or write into this pdf file?

pdb snapshot or any value like energy?

take a look at

http://www2.umdnj.edu/~kerrigje/pdf_files/fwspidr_tutor.pdf

or something similar.

>
> Thanks in advance!
>
>
> Özge Engin
> Department of Computational Science and Engineering
> Koc University
>
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Greetings,

Florian

-- 
---
 Florian Haberl
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone: +49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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[gmx-users] trjconv(extraction of certain frames)

[OZGE ENGIN]

Hi,

I have a question about the trjconv command.  I simulated my system for 30 ns, 
and  got 30 frames. Now, I want to extract some frames from that whole: 
beginning at every 70 th ps lengthing to the 80 th ps, and to write them in a 
pdf file.

Thanks in advance!


Özge Engin
Department of Computational Science and Engineering
Koc University

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