Fwd: question about sensitivity of DNA free energy simulations

From: Marcela Madrid <mmadrid_at_psc.edu>
Date: Fri 06 Oct 2000 10:25:46 -0400

Hi, I was wondering if anybody would know the following.

 I need to calculate the difference in free energy
for DNA in a box of water, due to the change in the charge of a base by +1.
Are free energy calculations sensitive enough to give this kind of
information, or is the change too small to be observable?

thank you, Marcela
Received on Fri Oct 06 2000 - 07:25:46 PDT