Hello

I worked supercooled liquids in Gallium, I`m tryng to calculation

non-Gaussian parameter use formule

3 < r(t)**4 >

NGP= ----------------- - 1

5 < r(t)**2 >**2

but in doing the calculation gives wrong results (negative values) all

times, the result must always be positive, in short time near zero and

long time near zero. NGP testing in liquid state is near zero all time but

gives wrong results.

I`was calculated msd and mqd from a single trajectory by only performing a

time average this valis for calculation NGP because msd is calculated of

single trajectory but mqd is equal.

You can send information how calculation NGP of dates simulation.

I hope your help

thank you very much

Bye

Samuel