Re: initial temp of simulation

From: Tim Isgro (
Date: Thu Mar 25 2004 - 11:11:07 CST

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.


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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