AMBER Archive (2001)

Subject: TIP3P

From: Guanglei Cui (cuigl_at_morita.chem.sunysb.edu)
Date: Fri Jun 29 2001 - 00:22:57 CDT

Dear Amber Users,
    I have a question on the TIP3P water model used in amber force field. In
1995, there was a paper published by SUN YX and Kollman PA in J. Comp. Chem.
They increased the van der Waals well depth from 0.152kcal/mol for the TIP3P
model to 0.190kcal/mol. The reported solvation free energy of all-atom
methane is closer to the experimental value. Is this modification reflected
in any of the current amber force fields? How can I find out what value is
in use? Thanks.

Guanglei Cui
SUNY at Stony Brook