2.1 Input: The Essentials
OverviewExample Input
Defining the Coordinates
QMMM key block
Restarts
Geometry Constraints and Fixing Coordinates of MM atoms
Miscellaneous Notes
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2.1 Input: The EssentialsOverviewExample Input Defining the Coordinates QMMM key block Restarts Geometry Constraints and Fixing Coordinates of MM atoms Miscellaneous Notes |
