Subject: ewald parameters for ST2 model of water!!

From: Pradipta Bandyopadhyay <pradipta~at~cgl.ucsf.edu>
Date: Mon, 27 Oct 2003 18:15:52 -0800 (PST)

Hi,

  My simulation with ST2 model of water shows large fluctuations of
k-space energy with little change in geometry. Can anyone suggest
me the optimum ewald parameters for ST2 model (separation parameter
alpha and k-space vector threshold, Kmax)?

thanks.

       Pradipta