inconsistencies with amber force fields due to scnb and 1-4scalin g

From: Stern, Julie (
Date: Wed May 18 2005 - 10:38:51 CDT

Are there inconsistencies with amber force fields from the usage of
the default vdw and electrostatic interaction scaling factors?

scnb is defaulted to 2.0
1-4scaling is defaulted to 1.0

However, the namd manual says that the 1-4scaling should be the inverse of
   what it is set in amber which is 1.2, hence 1-4scaling should be
   defaulted to .83 and not to 1.0. I was told if the defaults are not
   correct then we cannot say we are using amber force fields.

Is there a developer that can take a look at this?
Should the user be tampering with these values and under what circumstances
would the user change these?


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