For multi-fragment molecules, treat as single bonded molecule or via interfragment coordinates. A primary difference is that in MULTI mode, the interfragment coordinates are not redundant. Type: string Possible Values: SINGLE, MULTI Default: SINGLE
For multi-fragment molecules, treat as single bonded molecule or via interfragment coordinates. A primary difference is that in MULTI mode, the interfragment coordinates are not redundant.
FLEXIBLE_G_CONVERGENCE
FREEZE_INTERFRAG
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