Subject: CHARMM problem

From: Sergey Noskov <[email-masked]>
Date: Mon, 4 Feb 2002 17:54:53 +0800 (CST)

Dear CCLers,

I had one , but very big problem. I would like to add another potential
function to CHARMM instead traditional 6-12 for LJ. Based on our
evaluation we would like to change function to Morse exponential potential
for ion(single)-water interation. For water we would like to conserve TIP3
employed in CHARMM. Is it possible? If so, do we need to worry about
cut-offs or not? I will be very gratefull to anybody who faced up with
similar problem and found the way to solve it.

With best regards,

Sergey

Sergey Noskov,Ph.D
Institute of BioMedical Sciences
Academia Sinica 
Taipei 11529,Taiwan R.O.C.
tel:886-2-27899043 (work)
    886-2-26600736 (home)
fax:886-2-27887641
e-mail:[email-masked]