AMBER Archive (2005)

Subject: Re: AMBER: in vacuo?

From: blakrose_at_gazeta.pl
Date: Wed Aug 31 2005 - 04:44:00 CDT


Dear Yam!

What you should do is count binding free energy in water and compare
this with calculations in vacuo. In my opinion this energies should
not be the same becauce of conformations of molecules.

Hope I helped.
Pawel G.

/Dear all,
/
/Hello. Can binding free energy to be calculated for an
/in vacuo system?
/
/Thanks.
/
/
/
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/Start your day with Yahoo! - make it your home page
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