Re: [AMBER] assignment of partial charge to fullerene2160

From: <>
Date: Tue, 27 Mar 2012 04:05:44 -0400 (EDT)


> structure and saved the pdb file in order to visualize the structure with
> VMD then the structure showed that all carbon atoms are detached from each
> other i.e. fullerene ball contained only carbon atoms and not any bond.

This could be both a VMD visualisation problem or xleap did not assign the
fullerene bonds correctly. What happens if you load the actual amber
prm&rst files into vmd? Does your mol2 really contain all the bonds?

> Sir I am not able to find whether there is any wrong with my input file or

Neither can we, unless you tell us a bit more about what you did, how you
prepared your file and what output leap gave you.

Kind Regards,


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

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Received on Tue Mar 27 2012 - 01:30:03 PDT
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