I'm awfully sorry for groundless troubling! The sum of group kinetic energies
IS STRONGLY EQUAL to the total one. Really I did compared the outputs of
DIFFERENT simulations...
>
Dear gmx'ers,
I am somewhat confused relating temperatures and kinetic energies in gromacs
output.
I simulate NVE system of N0 rigid molecules in vacuo, 'comm_mode' is set to
'None'.
<skip>
>
What is the real source of this difference?
--
Regards,
Dmitri mailto:ddu...@ngs.ru
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