Re: [AMBER] Representing Sphere and Its parameterization in Amber.

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 11 Nov 2014 06:47:48 -0500

On Tue, Nov 11, 2014, ATUL KUMAR wrote:

> I want to represent a molecule with a sphere and my system would be a
> macromolecule + spheres. Spheres have only Van der waals interaction, no
> charge and it does not make any covalent bond. So, I need to put only mass
> and VDW parameters for the sphere in AMBER. I am trying to find a good set
> of vdw parameters for my sphere. Has anybody done like this? Any pointer
> would be appreciated.

I don't think anyone could answer this question without knowing what the
spheres are supposed to represent.

....dac


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Received on Tue Nov 11 2014 - 04:00:04 PST
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