AMBER Archive (2002)

Subject: MD with simulated annealing

From: Giulio Rastelli (giulio_at_caesar.unimo.it)
Date: Fri Feb 22 2002 - 12:39:56 CST

Dear all,

I would like to ask, based on your experience, what temperature
ramp, and ps of MD at high T would be appropriate for a solvated protein
simulation. Till now, I got several abrut changes in structure.

Thanks for your advices,

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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