VirtualSiteTopology::VirtualSiteAngle Struct Reference

Description

Helper struct for single angle in virtual site.

Public Member Functions
	VirtualSiteAngle (const std::string &a1, const std::string &a2, const std::string &a3, real v)
	Explicit constructor. More...

Public Attributes
std::string	atom1
	Atom 1 in angle.
std::string	atom2
	Atom 2 in angle.
std::string	atom3
	Atom 3 in angle.
float	value
	Value for angle.

Constructor & Destructor Documentation

VirtualSiteTopology::VirtualSiteAngle::VirtualSiteAngle ( const std::string &  a1, const std::string &  a2, const std::string &  a3, real  v  )

inline

Explicit constructor.

Parameters

[in]	a1	First atom name.
[in]	a2	Second atom name.
[in]	a3	Third atom name.
[in]	v	Value for angle.

---

The documentation for this struct was generated from the following file:

• src/gromacs/gmxpreprocess/gen_vsite.cpp