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