Hi Elisa,
It is definitely doable. There are some tutorials online which show
how to do this.
However, implicit solvation is not particularly accurate. It is best
to solvate in water. I use a truncated 8.65 A octahedron with TIP3P.
-Dave
On 4/13/11, Elisa Frezza <elisa.frezza.gmail.com> wrote:
> Dear All
>
> I would like to ask you if I can perform MD simulation using implicit
> solvation model and a cubic box to confine my systems.
>
> Your sincerely
>
> Elisa Frezza
>
> --
> Elisa Frezza
> Ph.D. Student in Material Science and Engineering
> Dipartimento di Scienze Chimiche
> Università di Padova
> via Marzolo, 1
> 35131 Padova - Italy
> Phone: +39 049 827 5149
> Emai: elisa.frezza.gmail.com
> elisa.frezza.studenti.unipd.it
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Received on Wed Apr 13 2011 - 09:00:08 PDT
