GromacsTopFile Member List

This is the complete list of members for GromacsTopFile, including all inherited members.
getAngle(int num, int *atomi, int *atomj, int *atomk, int *angletype) const GromacsTopFile
getAngleParams(int num, Real *th0, Real *kth, int *funct) const GromacsTopFile
getAtom(int num, int *residue_number, char *residue_name, char *atom_name, char *atom_type, int *atom_typenum, Real *charge, Real *mass) const GromacsTopFile
getAtomParams(int num, char *type) const GromacsTopFile [inline]
getBond(int num, int *atomi, int *atomj, int *bondtype) const GromacsTopFile
getBondParams(int num, Real *b0, Real *kB, int *funct) const GromacsTopFile
getDihedral(int num, int *atomi, int *atomj, int *atomk, int *atoml, int *type) const GromacsTopFile
getDihedralParams(int num, Real *c, int *mult, int *funct) const GromacsTopFile
getExclusions(int *, int *) const GromacsTopFile
getNumAngleParams() const GromacsTopFile [inline]
getNumAngles() const GromacsTopFile
getNumAtomParams() const GromacsTopFile [inline]
getNumAtoms() const GromacsTopFile
getNumBondParams() const GromacsTopFile [inline]
getNumBonds() const GromacsTopFile
getNumDihedralParams() const GromacsTopFile [inline]
getNumDihedrals() const GromacsTopFile
getNumExclusions() const GromacsTopFile
getNumGaussPair() const GromacsTopFile
getNumLJPair() const GromacsTopFile
getNumPair() const GromacsTopFile
getPairGaussArrays2(int *indexA, int *indexB, Real *gaussA, Real *gaussMu1, Real *gaussSigma1, Real *gaussMu2, Real *gaussSigma2, Real *gaussRepulsive)GromacsTopFile
getPairLJArrays2(int *indexA, int *indexB, Real *pairC6, Real *pairC12)GromacsTopFile
getSystemName() const GromacsTopFile [inline]
getVDWParams(int typea, int typeb, Real *c6, Real *c12, Real *c6pair, Real *c7) const GromacsTopFile
GromacsTopFile(char *filename)GromacsTopFile

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