Figures and display the variation of ∆G com with ensemble size increased up to 100 for a subset of systems using EQ and NEQ approaches. The dashed line denotes ensemble size 10. As can be seen very clearly, ∆G com converges in most cases after ensemble size 10, before which fluctuations could be observed. There are a few exceptional cases like ROS1 when employing the NEQ approach where there are several other adjustable parameters as discussed below. Therefore, we recommend using an ensemble size of 10 in general with a possibility of further increase if and when required; for instance, cases where non-normality is of interest and/or when error bars are above the desired value.