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Searched defs:_AmberParameters (Results 1 – 2 of 2) sorted by relevance

/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/
H A DMolecularMechanics.h100 struct _AmberParameters struct
102 gint numberOfTypes;
103 AmberAtomTypes* atomTypes;
105 gint numberOfStretchTerms;
108 gint numberOfBendTerms;
111 gint numberOfDihedralTerms;
114 gint numberOfImproperTorsionTerms;
117 gint numberOfNonBonded;
120 gint numberOfHydrogenBonded;
123 gint numberOfPairWise;
[all …]
/dports/science/gabedit/GabeditSrc251_300720/utils/MolecularMechanics/
H A Dcreatemmfile.c78 struct _AmberParameters struct
80 gint numberOfTypes;
81 AmberAtomTypes* atomTypes;
83 gint numberOfStretchTerms;
86 gint numberOfBendTerms;
87 AmberAngleBendTerms* angleBendTerms;
89 gint numberOfDihedralTerms;
92 gint numberOfImproperTorsionTerms;
95 gint numberOfNonBonded;
96 AmberNonBondedTerms* nonBondedTerms;
[all …]