gromacsPair Struct Reference

#include <structures.h>

Public Attributes
int32	atom1
int32	atom2
Real	pairC12
Real	pairC6
Index	gromacsPair_type

Detailed Description

Definition at line 94 of file structures.h.

Member Data Documentation

atom1

int32 gromacsPair::atom1

Definition at line 96 of file structures.h.

Referenced by GromacsPairElem::GromacsPairElem(), and Molecule::receive_Molecule().

atom2

int32 gromacsPair::atom2

Definition at line 97 of file structures.h.

Referenced by GromacsPairElem::GromacsPairElem(), and Molecule::receive_Molecule().

gromacsPair_type

Index gromacsPair::gromacsPair_type

Definition at line 100 of file structures.h.

Referenced by GromacsPairElem::GromacsPairElem(), and Molecule::receive_Molecule().

pairC12

Real gromacsPair::pairC12

Definition at line 98 of file structures.h.

Referenced by Molecule::receive_Molecule().

pairC6

Real gromacsPair::pairC6

Definition at line 99 of file structures.h.

Referenced by Molecule::receive_Molecule().

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

• structures.h