Sorry for bothering again, I figured out it by adding solvateCap to the
position.
-M.
On Mon, 26 Jun 2000, Minmin Wang wrote:
> Dear AMBER Users:
>
> I am trying to simulate a system with partial of the protein is
> solvated with explicit solvent while the remaining part of the molecule is
> in gas phase with distance-dependent dielectric constant. The purpose of
> this is to reduce the computational time since my target is a pretty large
> system with more than 10,000 atoms. Will this be a plausible precedure and
> could anyone give me suggestions how to prepare the solvent shell with
> AMBER6?
>
> With best regards,
>
> Minmin
>
Received on Mon Jun 26 2000 - 14:37:21 PDT
