Gromacs  2021-beta2-UNCHECKED
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VirtualSiteTopology::VirtualSiteAngle Struct Reference


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 

Explicit constructor.

[in]a1First atom name.
[in]a2Second atom name.
[in]a3Third atom name.
[in]vValue for angle.

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