Dear Shayantani,
The output you quote show a negative potential energy. Is that not for the run
you refer to?
(With regards to “Hello Sir”, may I suggest a more gender inclusive greeting.)
Kind regards,
Erik
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Erik Marklund, PhD, Marie Skłodowska Cur
Noone knows if you can continue your equilibration with this result, but
it has nothing to do with the sign of the total energy. In the case of
biomolecular forcefields involving quadratic energy terms for bonded
stuff, the sign of the total energy is meaningless. _Reduction_ in total
energy on
