[gmx-users] make_ndx

[Naser, Md Abu]

Thanks david! 



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 David van der Spoel
Sent: Thu 27/09/2007 7:17 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] make_ndx
 
Naser, Md Abu wrote:
> Hi XAvier,
> 
> "Single out" I mean  pick up only the side chain bonded with alpha 
> carbon atom and
> put them in a group using make_ndx.
> 
all side chains are.
and sidechain is a default group.

> 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 Xavier Periole
> Sent: Wed 26/09/2007 8:42 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] make_ndx
> 
> On Wed, 26 Sep 2007 20:08:06 +0100
>   "Naser, Md Abu" <mn2 at hw.ac.uk> wrote:
>  > Hi All User,
>  >
>  > Is there anyway I can single out side chain of alpha carbon atom using
>  >make_ndx?
> 
> What do you mean by "single out"
> and with "side chain of alpha carbon" ?
> 
>  >
>  > Thanks in advance.
>  >
>  > 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
>  >
>  >
>  >
>  >
> 
> -----------------------------------------------------
> XAvier Periole - PhD
> 
> 1- Institute of Molecular Assemblies
>       City University of New York - USA
> 2- Molecular Dynamics-Group
>       University of Groningen - The Netherlands
> http://md.chem.rug.nl/~periole
> -----------------------------------------------------
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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