Hi,
If u minimise the protein in vaccum...the bad contact within the
protein atoms will be removed
After solvation if u do...then both the bad water contact and steric
clashes within the protein will be removed.
On Mon 16 Mar, 2020, 8:37 PM Deepanshi ., wrote:
> Dear all,
>
> I am trying to simulate an all atom protein in water. I wanted to ask that
> what is the importance of minimizing the protein in a vacuum. It is not
> mentioned in the lysozyme tutorial.
>
> Thanks.
>
> Regards,
> Deepanshi
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