AMBER Archive (2001)

Subject: torsional profile with MD

From: Giulio Rastelli (giulio_at_caesar.unimo.it)
Date: Mon Oct 15 2001 - 11:17:34 CDT

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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