AMBER: calculating the enthalpy of evaporation

From: jessica stolee <JStolee.gwu.edu>
Date: Thu, 24 Jul 2008 15:24:40 -0400

Hello-

 

I would like to calculate the enthalpy of evaporation for a water molecule
from a box of water molecules and am not quite sure where to begin. Would I
take one molecule and let it extend to infinity and subtract the energy of
that from the energy of the box of water molecules? If anyone could give me
some useful hints I would appreciate it.

 

Thanks,

Jess




-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo.scripps.edu
Received on Sun Jul 27 2008 - 06:07:35 PDT
Custom Search