On Fri, Jun 25, 2004, Marcin Krol wrote:
> Where can I find values of Born radii (bondi, mbondi, mbondi2) used in GB
> electrostatic calculations? Are they stored in a file, or calculated from
> vdw radii?
Information and literature references are given on p. 69 of the Users' Manual.
The values themselves are in the file $AMBERHOME/src/leap/src/leap/unitio.c,
starting at about line 5173.
....dac
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Received on Fri Jun 25 2004 - 16:53:01 PDT
