Re: [AMBER] Simulation of complex

From: Shozeb Haider <shozeb.haider.pharmacy.ac.uk>
Date: Mon, 19 Apr 2010 16:26:21 +0100

Have you got the correct file format for AMBER ?

Best wishes

Shozeb




Asfa Ali wrote:
> Hi,
>
> I am having a docked complex (from Autodock) of a ligand and DNA. The docked
> file is not recognised by amber, although I am using antechamber to create
> the mol2 and frcmod file of the ligand separately.
>
> Is there any problem with Autodock? Can anyone tell me how to use docked
> file from Autodock for simulation in amber?
>
> I have checked the Amber mailing list but I didn't get any suitable results.
>
> Kindly help.
>
> Asfa.
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> http://lists.ambermd.org/mailman/listinfo/amber
>
>


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Received on Mon Apr 19 2010 - 08:30:06 PDT
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