Hello,
On Mon, Feb 15, 2010 at 1:38 PM, Dian Jiao <oscarjiao.gmail.com> wrote:
> Hi,
>
> So where are the epsilon parameters (VDW)?
They aren't :). The vdw parameters are in LENNARD_JONES_ACOEF and
LENNARD_JONES_BCOEF. These coefficients are calculated from the
epsilon parameters. This has been discussed in previous posts.
http://archive.ambermd.org/201001/0242.html
In a later post in this thread, there is a link to a PDF that
thoroughly explains the derivation of the VDW parameters.
Good luck!
Jason
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Feb 15 2010 - 11:00:04 PST
