Hi every body,
Thanks in advance for any help.
I want to do a QMMM study.Is it necessary to do a MD simulation steps like minimization, equilibrating system, ... and production run before starting the QMMM studies?
My case is studying electronic nature of an organic molecule and its reaction in water solvent.
Thanks again for any help.
Regards,Alchemist
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Received on Wed Jun 15 2016 - 23:00:02 PDT
