[gmx-users] Re: make_ndx

[T.A.Wassenaar]

Hi Sri,

It is not possible to do this in gromacs. Pymol can make 
such selections, but then you need a script to write an 
index file from a Pymol selection. If you know a bit of 
python that shouldn't be too hard.

Hope it helps,

Tsjerk

On Fri, 1 Jul 2005 09:33:36 -0400
  VISWANADHA SRIDHARA <vsrid001 at odu.edu> wrote:
> Hi GMX users,
> 
> I was wondering whether there is any option in make_ndx 
>to get the index of
> the atoms(or molecules) as a function of the box 
>vectors.
> In other words, can I get the index of the molecules 
>separately which are
> 1nm spherical radius in a 3nm cube as an example.(say 
>cube's center is the
> sphere's center too).
> 
> Thanks in advance,
> Sri
> 
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