From: Asmi Mahmood (asmi_mahmood_at_yahoo.com)
Date: Thu Oct 15 2020 - 08:04:32 CDT
I need to run MM/QM using namd with orca. Is there any available protocol or tutorial available for it.
Is there any other means to calculate QM for the active site only and MM for the remaining protein in namd. If any better way to do plz suggest
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