On Sat, Aug 03, 2024, Jaime Rubio Martinez via AMBER wrote:
>runmd.F90 : Here if rbornstat == 1 the
>580 format STATISTICS OF EFFECTIVE BORN RADII OVER ',i7,' STEPS
>The statistics over the MD is printed .
>Thus, it seems that we can obtain only average values and only when running MD.
Just a guess: have you tried a zero step (or on step) MD run? Then the
average might be the numbers you want.
...dac
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Received on Sat Aug 03 2024 - 07:00:02 PDT
