Dear all, 1- I saw in tutorial of Molecular Dynamics that I should change the ionic masses to accelerate the minimization, I don't understand why? and why it value is decrease? I know that the ionic masses identify the type of atom.
example of Benzene Molecule : C 12.0d0 c_blyp_gia.pp H 1.00d0 h.ps C 2.0d0 c_blyp_gia.pp H 2.00d0 h.ps 2- After the running How can I know that the system is stable or not? I am eagerly hoping someone can help me. Thank you. Fadwa
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