AMBER: different cooling schedules for simulated annealing

From: Madalin Giambasu <>
Date: Wed, 11 Aug 2004 14:51:09 +0300 (EEST)

I wander if there is an elegant way to impose different cooling schedules

Ti= Tinitial - (time step)**A
where A = ln(Tinitial - Tfinal)/ln(nomber of steps)
(for more examples see:

using for example loops, definition of variables,etc. ( programming tools
like CHARMM can

I am not reffering to cooling schedules of tipe T(n+1) = T(n) * constant
as this &wt option can do !


Madalin G. Giambasu
Junior Research Assistant
Institute of Biochemistry of Romanian Academy of Science
Splaiul Independentei 296, 060031, Bucharest 17, Romania
Phone: (+4); FAX: (+4)


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Received on Wed Aug 11 2004 - 12:53:00 PDT
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