[gmx-users] make_ndx

[David]

On Fri, 2005-05-27 at 16:23 +0100, M.Naser wrote:
> Hi All,
> 
> I have been trying to group water molecule into H and OH using make_ndx. I
> am not getting it right. Please give me some advise about how this can be
> achieved.
> 
If you have zero groups in make_ndx:
a OW1
a HW2
a HW3
Now you have three groups
0 OW1
1 HW2
2 HW3
then you do
0 | 1
and you have your OH group.

> With regards,
> 
> Abu
> 
> 
> __________________________________________________________________
> 
> DISCLAIMER:
> 
> This e-mail message is subject to http://www.hw.ac.uk/disclaim.htm
> __________________________________________________________________
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
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://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++