AMBER: polarizable water models.

From: Karen Callahan <>
Date: Fri, 4 May 2007 23:38:34 -0700 (PDT)


I would like to know if it is possible to use POL5
with any version of AMBER. The original paper (J.
Chem. Phys. 2001, 115:5:2237-2251) uses a Buckingham
potential, but I think that AMBER will only calculate
Lennard-Jones potentials, with the exception of AMBER9
using the AMOEBA force field.

Additionally, I would like to know if the TIP3P in
ff02EPr1 contains "extra points" for the lone pairs,
or if it is just TIP3P.

I am interested in running simulations with a rigid,
polarizable water model that includes explicit lone
pairs using AMBER7 or AMBER8. Do you recommend any
force field for this?


Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun May 06 2007 - 06:07:36 PDT
Custom Search