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Syntax
- SURFace
- { surface-statement } END is invoked from the main level of X-PLOR. The END statement activates execution.
- surface-statement:==
-
- ACCUracy=real
- is accuracy of the numerical integration (default: 0.05).
- MODE=ACCess CONTact
- is access or contact mode (default: access).
- RH2O=real
- is probe radius (default: 1.6 Å).
- SELEction=selection
- performs the calculation for the selected atoms.
Xplor-NIH 2024-09-13