AMBER Archive (2006)

Subject: AMBER: About Lennard-Jones Parameters

From: Jianhui (tianj_at_rpi.edu)
Date: Fri Sep 15 2006 - 16:08:13 CDT

Hello amber-users,

In parm99.dat file, listed are the van der waals radius sigma and the well depth epsilon of different elements, which is used for the same element Lennard-Jones interactions such as O-O. How do AMBER calculate the Lennard-Jones parameters for different element interaction such as Na-O? Thanks a lot in advance.

Best regards,
  
Jianhui
tianj_at_rpi.edu
2006-09-15

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