AMBER Archive (2000)

Subject: Fwd: question about sensitivity of DNA free energy simulations

From: Marcela Madrid (mmadrid_at_psc.edu)
Date: Fri Oct 06 2000 - 09:25:46 CDT

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