AMBER: Explicit water opinion

From: Hayden Eastwood <>
Date: Fri, 13 Apr 2007 19:39:19 +0100

Dear Amber Users

I am about to attempt an explicit water simulation on a protein (40 amino
acids) bonded to a sacharide partner. I am wondering which explicit model is
best, many papers have published findings with SPC and TIP3P boxes. However,
I've recently been to a conference in which many people derided TIP3P as
being weak. Is there any agreement as to which water representation is most
accurate? (Or at least most appropriate for a small protein with a charge of
approx. +6).

Many thanks

Hayden Eastwood

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Apr 15 2007 - 06:07:40 PDT
Custom Search