[gmx-users] how to write a annealing .mdp

[Qiao Baofu]

Hi,
  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 <zzhwise1 at 163.com> 写道：
>
> hello everyone
>       i 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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