apoCHARMM 1.0.0
High-performance molecular dynamics simulations on GPUs
 
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apocharmm.enums.VdwType Class Reference

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Inherits IntEnum.

Static Public Attributes

int NONE = 0
 Represents no selected van der Waals model.
 
int VSH = 1
 Selects native model code VDW_VSH.
 
int VSW = 2
 Selects native model code VDW_VSW.
 
int VFSW = 3
 Selects native model code VDW_VFSW.
 
int VGSH = 4
 Selects native model code VDW_VGSH.
 
int CUT = 5
 Selects native model code VDW_CUT.
 
int DBEXP = 6
 Selects native model code VDW_DBEXP.
 

Detailed Description

Identifies a native van der Waals model code.

CharmmContext.setVdwType() accepts native model values VSH through DBEXP, whose integer values are 1 through 6. NONE is representable by this Python enumeration but is rejected by the current native CharmmContext setter.