AMBER Archive (2001)

Subject: torsional profile

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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
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tel 0039-059-2055145
fax 0039-059-2055131
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• Next message: samantha hughes: "Re: residue numbering in dimers and trimers"
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