AMBER Archive (2004)

Subject: AMBER: different cooling schedules for simulated annealing

From: Madalin Giambasu (giambasu_at_biochim.ro)
Date: Wed Aug 11 2004 - 06:51:09 CDT

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

Ti= Tinitial - (time step)**A
where A = ln(Tinitial - Tfinal)/ln(nomber of steps)
(for more examples see: http://fconyx.ncifcrf.gov/~lukeb/simanf1.html)

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

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

Thanks
 

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Madalin G. Giambasu
Junior Research Assistant
Institute of Biochemistry of Romanian Academy of Science
Splaiul Independentei 296, 060031, Bucharest 17, Romania
Phone: (+4)021.223.90.69; FAX: (+4)021.223.90.68

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