Re: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact?

From: Axel Kohlmeyer (
Date: Tue Mar 19 2013 - 00:04:12 CDT

On Tue, Mar 19, 2013 at 5:58 AM, somedatta pal <> wrote:
> Hi,
> I am studying effect of protein's charge and flexibility on its
> stability, structure and function. With this aim, i want to observe
> the case when protein-water interaction is turned off, but
> protein-protein and water-water interactions are turned on. Can anyone
> please help me?

what would be the point of this kind of calculation? if there are no
protein-water interactions, you could just simulate the protein in
vacuum, i.e.without any water present, and the water without a protein
as well.


> --
> Somedatta Pal

Dr. Axel Kohlmeyer
International Centre for Theoretical Physics, Trieste. Italy.

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