Could you tell me where can I find this part? I cannot find it in the online tutoral. Thank you.
________________________________
From: Jason Swails <jason.swails.gmail.com>
To: bin wang <wang_p_z.yahoo.com.cn>; AMBER Mailing List <amber.ambermd.org>
Sent: Friday, November 2, 2012 12:37 PM
Subject: Re: [AMBER] how to calculate binding energy of one receptor and two ligands?
On Fri, Nov 2, 2012 at 11:53 AM, bin wang <wang_p_z.yahoo.com.cn> wrote:
> Dear amber users,
> I am using MMPBSA.py to calculate the binding energy of one DNA molecule
> as the receptor and two organic molecules as the ligands. I cannot find
> what command I should use to do it. Could you give me some suggestions?
>
Go through the MMPBSA.py tutorial to figure out how to run the program.
Then, determine what binding free energy you really want to determine what
your receptor and ligand designations should be.
Good luck,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Nov 02 2012 - 11:00:03 PDT
