#include <settings.hh>
Definition at line 95 of file settings.hh.
Settings | ( | ) | [inline] |
Definition at line 97 of file settings.hh.
bool add_angles |
Definition at line 159 of file settings.hh.
bool add_barostat |
Definition at line 196 of file settings.hh.
bool add_bonds |
Definition at line 158 of file settings.hh.
bool add_cmaps |
Definition at line 162 of file settings.hh.
bool add_dihedrals |
Definition at line 160 of file settings.hh.
bool add_exclusions |
Definition at line 163 of file settings.hh.
bool add_gbsa |
Definition at line 165 of file settings.hh.
bool add_impropers |
Definition at line 161 of file settings.hh.
bool add_nonbonded |
Definition at line 164 of file settings.hh.
bool add_thermostat |
Definition at line 193 of file settings.hh.
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Definition at line 197 of file settings.hh.
int cmm_frequency |
Definition at line 180 of file settings.hh.
bool constrain_bonds |
Definition at line 167 of file settings.hh.
bool constrain_hbonds |
Definition at line 166 of file settings.hh.
Definition at line 190 of file settings.hh.
Definition at line 192 of file settings.hh.
Definition at line 207 of file settings.hh.
bool fix_heavy_atoms |
Definition at line 171 of file settings.hh.
Definition at line 186 of file settings.hh.
Definition at line 175 of file settings.hh.
Definition at line 170 of file settings.hh.
Definition at line 185 of file settings.hh.
boost::shared_ptr<OpenMM::Integrator> integrator |
Definition at line 200 of file settings.hh.
Definition at line 205 of file settings.hh.
bool kill_electrostatics |
Definition at line 173 of file settings.hh.
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Definition at line 189 of file settings.hh.
bool remove_cmm_motion |
Definition at line 179 of file settings.hh.
bool rigid_water |
Definition at line 168 of file settings.hh.
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Definition at line 201 of file settings.hh.
bool strict_interactions |
Definition at line 169 of file settings.hh.
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Definition at line 204 of file settings.hh.