[gmx-users] Re: make_ndx
T.A.Wassenaar at rug.nl
Fri Jul 1 21:29:10 CEST 2005
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,
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
> 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,
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