tip5p water model

From: Marvin Rich <mr23.i4.nyu.edu>
Date: Thu, 13 Mar 2003 12:44:04 -0500 (EST)

Hello,

I have been using the tip5p water model with amber6 and cvff, running both
through InsightII software. I notice that the N-H - O (wat) hydrogen bond
is less than the C=O -H(wat) hydrogen bond when using amber6 (with the
tip5p model) in a simple dialanine water system. This is not the case
when using amber6 with tip3p, or when the tip5p is implemented with the
cvff forcefield.

Has anyone used tip5p with amber5 or 6 and noticed these irregularites?
Any suggestions or comments would be appreciated.

Thanks


Marv Rich
marvin.rich.nyu.edu
Received on Thu Mar 13 2003 - 17:53:01 PST