MD with simulated annealing

From: Giulio Rastelli <>
Date: Fri 22 Feb 2002 19:39:56 +0100

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 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 Fri Feb 22 2002 - 10:39:56 PST
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