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gmx_reverse_top_t::Impl Struct Reference

Description

Struct for the reverse topology: links bonded interactions to atoms.

Public Member Functions

 Impl (const gmx_mtop_t &mtop, bool useFreeEnergy, const ReverseTopOptions &reverseTopOptions)
 Constructs a reverse topology from mtop. More...
 

Constructor & Destructor Documentation

gmx_reverse_top_t::Impl::Impl ( const gmx_mtop_t &  mtop,
bool  useFreeEnergy,
const ReverseTopOptions reverseTopOptions 
)

Constructs a reverse topology from mtop.

Generate the reverse topology.


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