ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
Main Page | Namespace List | Class Hierarchy | Alphabetical List | Class List | File List | Namespace Members | Class Members | File Members

ProtoMol::PAR Class Reference

#include <PAR.h>

List of all members.

Public Types

enum  CharmmTypeEnum {
  UNDEFINED,
  CHARMM28,
  CHARMM19
}

Public Member Functions

void clear ()

Public Attributes

std::vector< Bond > bonds
std::vector< Angle > angles
std::vector< Dihedral > dihedrals
std::vector< Improper > impropers
std::vector< Nonbonded > nonbondeds
std::vector< Nbfix > nbfixs
std::vector< Hbond > hbonds

Detailed Description

Container class for Charmm19/28/XPLOR parameters

NB:

Member Enumeration Documentation

enum ProtoMol::PAR::CharmmTypeEnum
 

Supported Charmm/XPLOR type.

Enumeration values:
UNDEFINED 
CHARMM28 
CHARMM19 

Member Function Documentation

void ProtoMol::PAR::clear (   ) 
 

Member Data Documentation

std::vector<Angle> ProtoMol::PAR::angles
 

std::vector<Bond> ProtoMol::PAR::bonds
 

std::vector<Dihedral> ProtoMol::PAR::dihedrals
 

std::vector<Hbond> ProtoMol::PAR::hbonds
 

std::vector<Improper> ProtoMol::PAR::impropers
 

std::vector<Nbfix> ProtoMol::PAR::nbfixs
 

std::vector<Nonbonded> ProtoMol::PAR::nonbondeds
 

The documentation for this class was generated from the following files: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.