CCL: free energy calculations

[jaleel uc <jaleel.uc*o*gmail.com>]

but we can do in hyperchem

 

On Sun, Apr 4, 2010 at 1:24 PM, Kshatresh Dutta Dubey kshatresh-$-gmail.com <owner-chemistryÌl.net> wrote:

Dear all,

Can we claculate the free energy for the output of QM/MM calculations performed by Qsite (Schrodinger Inc.).

Every help is heartly appreciated.

Regards

Kshatresh

-- 
Dr
 U.C.A.Jaleel.
lecturer in cheminformatics 
Malabar christian college
 
calicut