On Sun, Jun 02, 2019, Keiran Corbett wrote:
>
>The output of the files once an MD is run gives an estimate of the error in
>the values
?? Can you be more specific about what "estimates of error" you are
referring to? If you are talking about the "Ewald error estimate", that
quantity provides very little information, and there is probably less
than one Amber user in a hundred that could explain its details. I'd
have to start by going through some of Tom Darden's early papers (from
the 1990's.)
...dac
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Received on Mon Jun 03 2019 - 05:30:02 PDT
