Thank you
On Mon, Nov 28, 2016 at 2:40 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Mon, Nov 28, 2016, Lara rajam wrote:
>
> >
> > I would like to make my simulation with a longest water box ( short
> width),
> > is there any way to define a water box of desired 3D size apart from
> > regular solvatebox options.
>
> Create an empty box in tleap: use "set <unit> box ..." to establish the
> size,
> but don't call solvatebox. Then use Amber's AddToBox to fill it with
> solvent.
>
> The external program "packmol" can carry out very similar calculations.
>
> ....dac
>
>
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Received on Mon Nov 28 2016 - 12:30:03 PST
