Re: [AMBER] Michaelis complex

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 17 Sep 2015 07:25:44 -0400

On Wed, Sep 16, 2015 at 4:11 PM, Hector A. Baldoni <hbaldoni.unsl.edu.ar>
wrote:

> Dear Amber users,
>
> It Would be possible to use ParmEd to delete a single bond length its bond
> angles and dihedral parameters from a topology file representing a
> covalently bonded Enzyme-substrate complex in order to generate its
> Michaelis complex. If it’s possible how I must to proceed. Any clue will
> be wellcome.
>

​The command you want is "deleteBond".

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Sep 17 2015 - 04:30:02 PDT
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