[gmx-users] atom index number

[Naser, Md Abu]

Hi Erik,

Thank you very much for responding my query. I will try doing 
it using grep, awk and cut.

With regards,


Abu Naser 

School Of Life Sciences 
Heriot-Watt University 
Edinburgh EH14 4AS 
Email: mn2 at hw.ac.uk
Phone: +44(0)1314518265 
Fax : +44(0) 131 451 3009 


 



-----Original Message-----
From: gmx-users-bounces at gromacs.org on behalf of Erik Marklund
Sent: Sat 22/09/2007 11:14 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] atom index number
 
Hi,

With less than 100000 atoms, making an index file from a gro file is  
easy with grep, cut and awk. Make a gro file with trjconv, then  
process it with aforementioned tools.

/Erik

21 sep 2007 kl. 17.33 skrev Naser, Md Abu:

> Hi Gmx user,
>
> I have wondering whether it is possible to extract index numbers  
> for atoms from a particular
> region in the box such as, if a box divided into 10 slices along z  
> and one wants to get all the atom's
> index number of protein in 1st slice or 3rd, etc.
>
> With regards,
>
> Abu Naser
>
> School Of Life Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS
> Email: mn2 at hw.ac.uk
> Phone: +44(0)1314518265
> Fax : +44(0) 131 451 3009
>
>
>
>
>
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_______________________________________________
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,	75124 Uppsala, Sweden
phone:	+46 18 471 4537		fax: +46 18 511 755
erikm at xray.bmc.uu.se	http://xray.bmc.uu.se/molbiophys



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