Hi,<br> set T_couple=no and refer to the following script<br><br>; SIMULATED ANNEALING <br>; Type of annealing for each temperature group (no/single/periodic)<br>annealing = single<br>; Number of time points to use for specifying annealing in each group
<br>annealing_npoints = 6<br>; List of times at the annealing points for each group<br>annealing_time = 0 10 20 30 40 50<br>; Temp. at each annealing point, for each group.<br>annealing_temp = 425 375 325 275 245 203
<br><br><div><span class="gmail_quote">在06-9-13，<b class="gmail_sendername">zzhwise1</b> <<a href="mailto:zzhwise1@163.com">zzhwise1@163.com</a>> 写道：</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div><div><font size="4">hello everyone</font></div>
<div><font size="4"> i want to anneal my system,but i don't konw how to wrote a right annealing-mdp!</font></div>
<div><font size="4">could anyone give me a moldel?</font></div>
<div><font size="4"> tanks in advaced!</font></div>
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</a><br><br></blockquote></div><br><br clear="all"><br>-- <br>Sincerely yours,<br>**********************************************<br>Baofu Qiao, PhD<br>Frankfurt Institute for Advanced Studies<br>Max-von-Laue-Str. 1<br>60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529
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