Dear all,
is there a script for simulating a rotational profile using MD with PBC in
water? I would like to obtain a free energy profile as a function of a
torsional angle.
Thank you very much
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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Received on Mon Oct 15 2001 - 09:17:34 PDT
