After the equilibriation also.. i got the same fluctuations in temperature.
On Fri, Jun 29, 2018, 12:10 AM David A Case <david.case.rutgers.edu> wrote:
> On Thu, Jun 28, 2018, Chhaya Singh wrote:
> >
> > Thank you for the information.it provided be a clear idea about the
> issue
> > that I was facing.
> > So now I have 1300 atoms in my system but during equilibration, I am
> facing
> > a lot, temperature fluctuations of +/- 7-8 K.
> > How to fix this. Can you help me with this.
> > myheat.out file contains this :
>
> If this is really a "heating" run, where the temperature goes from zero
> to 310K, then one would not expect the standard deviation in
> temperatures to tell you much of anything. You certainly need to check
> temperature fluctuations after the equilibration is over.
>
> ....dac
>
>
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Received on Thu Jun 28 2018 - 12:00:04 PDT
