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: [EMAIL PROTECTED]
Phone: +44(0)1314518265
Fax : +44(0) 131 451 3009
-----Original Message-----
From: [EMAIL PROTECTED] 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" <[EMAIL PROTECTED]> 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: [EMAIL PROTECTED]
> 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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________________________________________________________________________
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Dept. of Cell and Molecular Biology, Uppsala University.
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