Re: initial temp of simulation

From: yxiong_at_mail.ccnu.edu.cn
Date: Thu Mar 25 2004 - 19:47:01 CST

 If I want to from 300K to 340K with run 800, then from 340K to 380K with
run 2000, that is to say, ReassignFreq is different for these two steps,
How should I set in configuration file?
 Thank you for your information!

> This should do it:
>
> ## Heating Process
>
> reassignFreq 200
> reassignTemp 300
> reassignIncr 10
> reassignHold 340
>
>
> ReassignFreq gives the number of timesteps after which the temperature
> is changed. ReassignTemp gives the initial temp. ReassignIncr gives
> the amount by which to increase T every (200) steps. ReassignHold gives
> the final T, and will keep the run at that T if you want to run for more
> than 1000 steps.
>
> Tim
>
>
> On Thu, 25 Mar 2004, mashaojie wrote:
>
>> Dear Sir:
>> I don't know how to write configure file on use temperature
>> anneling or temperature increase gradually.Could you give me a
>> example configure file.
>> for example, simulation from 300K to 340K while run 1000.
>> thank you very much

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