Re: initial temp of simulation

From: Tim Isgro (timisgro_at_ks.uiuc.edu)
Date: Fri Mar 26 2004 - 10:46:49 CST

I don't think it's possible. You need 2 config files for that.
Tim

On Fri, 26 Mar 2004 yxiong_at_mail.ccnu.edu.cn wrote:

> 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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