VirtualSiteTopology::VirtualSiteBond Struct Reference

Description

Helper struct for single bond in virtual site.

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

Public Attributes
std::string	atom1
	Atom 1 in bond.
std::string	atom2
	Atom 2 in bond.
float	value
	Distance value between atoms.

Constructor & Destructor Documentation

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

inline

Explicit constructor.

Parameters

[in]	a1	First atom name.
[in]	a2	Second atom name.
[in]	v	Value for distance.

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

• src/gromacs/gmxpreprocess/gen_vsite.cpp