Dear all,
what is the "best" way to get a free energy profile
for rotation around a single bond in a macrocyclic molecule?
Thanks
Giulio
Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
-------------------------------------
tel 0039-059-2055145
fax 0039-059-2055131
-------------------------------------
Received on Thu Aug 30 2001 - 17:02:39 PDT
