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MELDOpenMMPlugin
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This is the complete list of members for MeldForce, including all inherited members.
| addCollection(std::vector< int > group_indices, int n_active) | MeldForce | |
| addDistanceRestraint(int particle1, int particle2, float r1, float r2, float r3, float r4, float force_constant) | MeldForce | |
| addDistProfileRestraint(int atom1, int atom2, float rMin, float rMax, int nBins, std::vector< double > a0, std::vector< double > a1, std::vector< double > a2, std::vector< double > a3, float scaleFactor) | MeldForce | |
| addGroup(std::vector< int > restraint_indices, int n_active) | MeldForce | |
| addHyperbolicDistanceRestraint(int particle1, int particle2, float r1, float r2, float r3, float r4, float force_constant, float asymptote) | MeldForce | |
| addTorsionRestraint(int atom1, int atom2, int atom3, int atom4, float phi, float deltaPhi, float forceConstant) | MeldForce | |
| addTorsProfileRestraint(int atom1, int atom2, int atom3, int atom4, int atom5, int atom6, int atom7, int atom8, int nBins, std::vector< double > a0, std::vector< double > a1, std::vector< double > a2, std::vector< double > a3, std::vector< double > a4, std::vector< double > a5, std::vector< double > a6, std::vector< double > a7, std::vector< double > a8, std::vector< double > a9, std::vector< double > a10, std::vector< double > a11, std::vector< double > a12, std::vector< double > a13, std::vector< double > a14, std::vector< double > a15, float scaleFactor) | MeldForce | |
| createImpl() const | MeldForce | protected |
| getCollectionParams(int index, std::vector< int > &indices, int &numActive) const | MeldForce | |
| getDistanceRestraintParams(int index, int &atom1, int &atom2, float &r1, float &r2, float &r3, float &r4, float &forceConstant, int &globalIndex) const | MeldForce | |
| getDistProfileRestraintParams(int index, int &atom1, int &atom2, float &rMin, float &rMax, int &nBins, std::vector< double > &a0, std::vector< double > &a1, std::vector< double > &a2, std::vector< double > &a3, float &scaleFactor, int &globalIndex) const | MeldForce | |
| getGroupParams(int index, std::vector< int > &indices, int &numActive) const | MeldForce | |
| getHyperbolicDistanceRestraintParams(int index, int &atom1, int &atom2, float &r1, float &r2, float &r3, float &r4, float &forceConstant, float &asymptote, int &globalIndex) const | MeldForce | |
| getNumCollections() const | MeldForce | |
| getNumDistProfileRestParams() const | MeldForce | |
| getNumDistProfileRestraints() const | MeldForce | |
| getNumDistRestraints() const | MeldForce | |
| getNumGroups() const | MeldForce | |
| getNumHyperbolicDistRestraints() const | MeldForce | |
| getNumTorsionRestraints() const | MeldForce | |
| getNumTorsProfileRestParams() const | MeldForce | |
| getNumTorsProfileRestraints() const | MeldForce | |
| getNumTotalRestraints() const | MeldForce | |
| getTorsionRestraintParams(int index, int &atom1, int &atom2, int &atom3, int &atom4, float &phi, float &deltaPhi, float &forceConstant, int &globalIndex) const | MeldForce | |
| getTorsProfileRestraintParams(int index, int &atom1, int &atom2, int &atom3, int &atom4, int &atom5, int &atom6, int &atom7, int &atom8, int &nBins, std::vector< double > &a0, std::vector< double > &a1, std::vector< double > &a2, std::vector< double > &a3, std::vector< double > &a4, std::vector< double > &a5, std::vector< double > &a6, std::vector< double > &a7, std::vector< double > &a8, std::vector< double > &a9, std::vector< double > &a10, std::vector< double > &a11, std::vector< double > &a12, std::vector< double > &a13, std::vector< double > &a14, std::vector< double > &a15, float &scaleFactor, int &globalIndex) const | MeldForce | |
| MeldForce() | MeldForce | |
| modifyDistanceRestraint(int index, int particle1, int particle2, float r1, float r2, float r3, float r4, float force_constant) | MeldForce | |
| modifyDistProfileRestraint(int index, int atom1, int atom2, float rMin, float rMax, int nBins, std::vector< double > a0, std::vector< double > a1, std::vector< double > a2, std::vector< double > a3, float scaleFactor) | MeldForce | |
| modifyHyperbolicDistanceRestraint(int index, int particle1, int particle2, float r1, float r2, float r3, float r4, float force_constant, float asymptote) | MeldForce | |
| modifyTorsionRestraint(int index, int atom1, int atom2, int atom3, int atom4, float phi, float deltaPhi, float forceConstant) | MeldForce | |
| modifyTorsProfileRestraint(int index, int atom1, int atom2, int atom3, int atom4, int atom5, int atom6, int atom7, int atom8, int nBins, std::vector< double > a0, std::vector< double > a1, std::vector< double > a2, std::vector< double > a3, std::vector< double > a4, std::vector< double > a5, std::vector< double > a6, std::vector< double > a7, std::vector< double > a8, std::vector< double > a9, std::vector< double > a10, std::vector< double > a11, std::vector< double > a12, std::vector< double > a13, std::vector< double > a14, std::vector< double > a15, float scaleFactor) | MeldForce | |
| updateParametersInContext(OpenMM::Context &context) | MeldForce |
1.8.10 
