Dear Ommair,
not from dl_poly itself. It can do only enlargements of systems.
you can try vmd/aten/ASE if you are comfortable with scripting to achieve
that.
or you can write a code to go throgh all molecules (you can decide O is the
representative atom of a molecule) in the config and keep the ones in the new
cubic cell you want.
Regards,
Alin
On Friday, 11 August 2017 07:02:05 BST you wrote:
> Hi,
>
> I am attaching TIP4P water model CONFIG file. It has 29052 atoms (7263
> molecules) in a cubic cell of size 60.2656479672 in each direction.
> I want to reduced the number of atoms to 1024 (256 molecules) in cubic cell.
>
> Is there a way to reduced it?
>
> Ommair
--
Without Questions there are no Answers!
_______________________________________________
Dr. Alin Marin ELENA
http://alin.elena.space/
_______________________________________________
|