Hello,
I am also interested in ph on amber.
I also want to know how to use ph on amber.
Thank you.
Lawrence Tsang wrote:
>
> Hello,
>
> I've homology modelled a protein from MODELLER.
> No H atoms is included.
>
> Then when I subject it to AMBER for MD, can I choose
> what pH in that simulation?
>
> Because under different pH, the individual AA may "feel"
> different environment.
>
> Can one tell how to calculate the ionization state for each residue
> under different pH?
>
> Thanks!
>
> Lawrence Tsang
> Dept of Biochemistry
> The Chinese University of Hong kong
Received on Wed Jul 12 2000 - 00:40:23 PDT
