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Functions
gmx::anonymous_namespace{updategroups.cpp} Namespace Reference

Functions

gmx_moltype_t ethaneUA ()
 Returns an ethane united-atom molecule.
 
gmx_moltype_t methane ()
 Returns a methane molecule.
 
gmx_moltype_t ethane ()
 Returns an ethane molecule.
 
gmx_moltype_t butaneUA ()
 Returns a butane united-atom molecule.
 
gmx_moltype_t waterThreeSite ()
 Returns a three-site water molecule.
 
gmx_moltype_t waterFourSite ()
 Returns a four-site water molecule with virtual site.
 
gmx_moltype_t waterFlexAngle ()
 Returns a water molecule with flexible angle.