ℎ has average value / , so 1−ℎ has average value 1− / = ( − )/ . Thus, the default robust estimator ̂ = { /( − )} 2 amounts to dividing 2 by the average of the expectation. vce(hc2) divides 2 by 1 − ℎ itself, so it should yield better estimates ...
The red dotted line is an average over every 30 iterations. The figure shows that an absolute magnitude of electrostatic energy becomes smaller when Arg99 rapidly penetrates inside the membrane (e.g., between 450th ∼ 550th iterations). Therefore, one can expect that the penetration increases...