Have you read the reply from prof. Case yet?
http://archive.ambermd.org/201707/0169.html
Hai
On Sun, Jul 9, 2017 at 8:26 PM, Garima Singh <garimabioinfo.gmail.com>
wrote:
> On 7 Jul 2017 4:32 p.m., "Garima Singh" <garimabioinfo.gmail.com> wrote:
>
> Dear Amber user,
>
> How do I calculate binding free energy of a
> metalloprotein complex interacting with Cd ion using Amber14?I have 50 ns
> simulation of a metalloprotein bound to cadmium. I wish to perform free
> energy calculation to find out the binding free energy. Can i use MM-PBSA
> or TI method for calculation of binding free energy of metalloprotein there
> is tutorial not available for binding free energy calculation of
> metalloprotein complex. kindly provide me your valuable suggestion, I am
> new user of amber 14.
>
> *Thank You and Best Wishes*
> --
> *Regards*
> Garima Singh
> AcSIR-PhD Fellow
> Biotechnology Division
> C/o Dr. Ashok Sharma (Chief Scientist and Head Biotechnology Division)
> Central Institute Of Medicinal And Aromatic Plant
> CSIR-CIMAP
> Lucknow
> garimabioinfo.gmail.com
>
>
>
>
> *INDIA* Please don't print this e-mail unless you really need to. Be Green
> !
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Received on Sun Jul 09 2017 - 19:00:02 PDT
