Re: [AMBER] simulation with multiple docked ligand

From: <steinbrt.rci.rutgers.edu>
Date: Wed, 4 Aug 2010 08:55:10 -0400 (EDT)

Hi,

it would be a good idea to actually describe the problem you are facing.
Without a description on what you did and what the results and error
messages of that were, we cannot help you very much.

I assume that you have a pdb of your complex with two ligands and want to
turn it into Amber input files using leap? What commands did you use and
at what point does the process crash?

Kind Regards,

Thomas

On Wed, August 4, 2010 8:47 am, Ashutosh Shandilya wrote:
> Hi
> I am facing problem in creating the parameter and topology file with two
> ligands docked in one active site and other on allestoric site.I have made
> topology and and complex.
> Please give some suggestions.
> Thanks
>
> --
> Shandilya Ashutosh
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> AMBER.ambermd.org
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>


Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Wed Aug 04 2010 - 06:00:16 PDT
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