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<P><FONT SIZE=2>Hi XAvier,<BR>
<BR>
"Single out" I mean pick up only the side chain bonded with alpha carbon atom and<BR>
put them in a group using make_ndx.<BR>
<BR>
With regards,<BR>
<BR>
<BR>
Abu Naser<BR>
<BR>
School Of Life Sciences<BR>
Heriot-Watt University<BR>
Edinburgh EH14 4AS<BR>
Email: mn2@hw.ac.uk<BR>
Phone: +44(0)1314518265<BR>
Fax : +44(0) 131 451 3009<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
-----Original Message-----<BR>
From: gmx-users-bounces@gromacs.org on behalf of Xavier Periole<BR>
Sent: Wed 26/09/2007 8:42 PM<BR>
To: Discussion list for GROMACS users<BR>
Subject: Re: [gmx-users] make_ndx<BR>
<BR>
On Wed, 26 Sep 2007 20:08:06 +0100<BR>
"Naser, Md Abu" <mn2@hw.ac.uk> wrote:<BR>
> Hi All User,<BR>
><BR>
> Is there anyway I can single out side chain of alpha carbon atom using<BR>
>make_ndx?<BR>
<BR>
What do you mean by "single out"<BR>
and with "side chain of alpha carbon" ?<BR>
<BR>
><BR>
> Thanks in advance.<BR>
><BR>
> Abu Naser<BR>
><BR>
> School Of Life Sciences<BR>
> Heriot-Watt University<BR>
> Edinburgh EH14 4AS<BR>
> Email: mn2@hw.ac.uk<BR>
> Phone: +44(0)1314518265<BR>
>Fax : +44(0) 131 451 3009<BR>
><BR>
><BR>
><BR>
><BR>
<BR>
-----------------------------------------------------<BR>
XAvier Periole - PhD<BR>
<BR>
1- Institute of Molecular Assemblies<BR>
City University of New York - USA<BR>
2- Molecular Dynamics-Group<BR>
University of Groningen - The Netherlands<BR>
<A HREF="http://md.chem.rug.nl/~periole">http://md.chem.rug.nl/~periole</A><BR>
-----------------------------------------------------<BR>
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