I made this temperature spacing according to YujiSugitaa,YukoOkamoto's
article: Chemical Physics Letters 314, (1999), 141–151
Replica-exchange molecular dynamics method for protein folding.
Their temperatures for REMD distribute exponentially. That's why my
temperatures are far away from each other above 400K.
I will set new temperatures more closer to each other, and rerun my
simulations.
Thanks for help.
Best regards,
Peng Tao
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Received on Mon Dec 19 2005 - 01:53:01 PST
