On Tue, 12 Jan 2016 14:23:53 +0330
elham sattarinezhad <rose.chemi.gmail.com> wrote:
> Or should I calculate delta G for each run independently, and average
> of three delta G?
I would think the point of running independent simulations is to do
exactly that and compute statistical data like standard errors and such.
Three data points alone won't make much of a statistic though. You may
also want to analyse your data for correlation so make sure to write
out the CSV file (-eo flag).
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Received on Tue Jan 12 2016 - 03:30:02 PST
