set T_couple=no and refer to the following script
; SIMULATED ANNEALING
; Type of annealing for each temperature group (no/single/periodic)
annealing = single
; Number of time points to use for specifying annealing in each group
annealing_npoints = 6
; List of times at the annealing points for each group
annealing_time = 0 10 20 30 40 50
; Temp. at each annealing point, for each group.
annealing_temp = 425 375 325 275 245 203
在06-9-13，zzhwise1 <[EMAIL PROTECTED]> 写道：
hello everyonei want to anneal my system,but i don't konw how to wrote a right annealing-mdp!could anyone give me a moldel?tanks in advaced!
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Sincerely yours,
**********************************************
Baofu Qiao, PhD
Frankfurt Institute for Advanced Studies
Max-von-Laue-Str. 1
60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529
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