Hi,
Your results are not statistically significant yet. You may find that if
you run your non-repartitioned system again with a different random seed it
will open (or vice versa). You should at least repeat each simulation a few
times to get more statistics.
-Dan
On Wed, Nov 16, 2016 at 8:39 AM Thakur, Abhishek <axt651.miami.edu> wrote:
> Hi,
>
> I have carried out two different GB/SA simulation, igb=5 and all the
> parameters same
>
> 1. With HMassRepartition with dt=0.004 and in 20ns I found that my dimer
> opened.
>
> 2.Simple Gb/SA with dt=0.001 and in 20ns I have found my dimer has not
> moved at all.
>
>
> I cannot get the reason behind this, as both have same duration of
> simulation. Can this be possible or I have done some mistake>
>
>
>
> Thanking you,
>
> Abhishek
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Received on Wed Nov 16 2016 - 08:00:05 PST
