[gmx-users] filling a mesopore with water

Maryam Kowsar maryam.kowsar at gmail.com
Tue Jun 23 07:02:38 CEST 2015


Hi Chaban,
they are less than 5 Angstrom.


On Tue, Jun 23, 2015 at 1:30 AM, V.V.Chaban <vvchaban at gmail.com> wrote:

> what's the size of the hole?
>
>
>
>
> On Mon, Jun 22, 2015 at 11:37 AM, Maryam Kowsar <maryam.kowsar at gmail.com>
> wrote:
> > Dear users,
> >
> > I want to fill a mesoporous system with water or any other molecules or
> > atoms. I tested genbox -cp .gro -cs spc216.gro -o but water molecules
> only
> > surround the mespore not in the holes. Are there any commands in gromacs?
> >
> > thank you.
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