8 #ifndef IMPNPCTRANSPORT_MAIN_H
9 #define IMPNPCTRANSPORT_MAIN_H
11 #include "npctransport_config.h"
16 IMPNPCTRANSPORT_BEGIN_NAMESPACE
32 (SimulationData* sd,
const std::string floater_name,
const float new_radius);
45 IMPNPCTRANSPORT_END_NAMESPACE
void remove_Nup42(SimulationData *sd)
remove nup42 and its anchors (also from obstacles)
IMP::npctransport::SimulationData * startup(int argc, char *argv[])
void do_main_loop(SimulationData *sd, const RestraintsTemp &init_restraints)
IMP::Vector< IMP::WeakPointer< Restraint > > RestraintsTemp
void inflate_floater(SimulationData *sd, const std::string floater_name, const float new_radius)
inflate floater of specified type to new_radius
Store all parameters for a simulation.
void reset_box_size(SimulationData *sd, double box_size)
change box size sd to specified box size and update output file