Dear all,
I am trying to implement a simulated annealing protocol with amber 11.
The goal is to cool more or less slowly a snapshot with sander method.
For exemple, the snapshot is at 300K and with several sander
calculations, I cool it until 0K.
I would like to know if someone has already done a similar process and
as a consequence, can give me advices regarding some parameters values
(ie nstlim, dt, ...).
Is there any recommended number of sander steps to make this temperature
decrease?
Thanks in advance
Regards
G.GUENEGOU
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Received on Mon May 09 2011 - 08:00:04 PDT
