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.
*Atul Kuamr jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU,New Delhi
India.
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Received on Mon Nov 10 2014 - 23:00:02 PST
