AMBER Archive (2001)

Subject: parameters forms

From: Yuguang Mu (ygmu_at_theochem.uni-frankfurt.de)
Date: Tue May 08 2001 - 03:13:32 CDT

Dear Ambers,

In the amber parameters files Parm94 or Parms96.
The nonbond parameters of atoms are not in the form of r* and epsilon (as
said in AMBER Version 6 Introduction p.63),

because r*=sigma* 2^(1/6).
and sigma and epsilon are standard 6-12 van der Walls potentials,
V=4 * epsilon (sigma^12/r^12-sigma^6/r^6).

while the parameters in files Parm94 have the form r*/2 and epsilon .

Is it right?

Yuguang