TIP4P parameters

From: Ge Zhou <clarekk_at_hkbu.edu.hk>
Date: Tue 30 Apr 2002 10:03:54 +0800

Dear Ambers,

I want to use the TIP4P parameters included AMBER 7. In
dat/leap/parm/frcmod.tip4p file, I found the angle of HW-OW-EP is 120.0.
But the angle is 52.26 in original reference(JCP 1983,79,926). I want to
know whether it is a mistake and why the mass of EP is 3.00. Can anyone
tell me?
Thank you very much.

G. Z.
Received on Mon Apr 29 2002 - 19:03:54 PDT