At the bottom of
http://ambermd.org/tutorials/advanced/tutorial3/section2.htm is a link to
http://ambermd.org/tutorials/advanced/tutorial3/py_script/.
Good luck,
Jason
On Fri, Nov 2, 2012 at 1:30 PM, bin wang <wang_p_z.yahoo.com.cn> wrote:
>
>
> 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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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
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 - 22:00:02 PDT
