Thank you for the clarification.
Saverio
________________________________
Da: Timothy Giese <giese025.rutgers.edu>
Inviato: mercoledì 15 aprile 2026 16:09
A: saverio lemme <saverio.lemme.alumni.uniroma2.eu>; AMBER Mailing List <amber.ambermd.org>
Oggetto: Re: [AMBER] Question regarding the relaxation of a system and the use of HMR
It is unnecessary. The classical potential energy is independent of particle mass. It depends only on position. If anything moves in the second optimization, it is only because the previous optimization failed to precisely locate a minimum. -Tim
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Received on Wed Apr 15 2026 - 07:30:06 PDT
