| 54 |
|
#include "restraints/ThermoIntegrationForceManager.hpp" |
| 55 |
|
#include "io/DumpWriter.hpp" |
| 56 |
|
#include "io/StatWriter.hpp" |
| 57 |
– |
#include "io/RestWriter.hpp" |
| 57 |
|
#include "integrators/Velocitizer.hpp" |
| 58 |
|
#include "integrators/RNEMD.hpp" |
| 59 |
|
|
| 80 |
|
} |
| 81 |
|
|
| 82 |
|
void setForceManager(ForceManager* forceMan) { |
| 83 |
+ |
|
| 84 |
|
if (forceMan_ != forceMan && forceMan_ != NULL) { |
| 85 |
|
delete forceMan_; |
| 86 |
|
} |
| 128 |
|
|
| 129 |
|
DumpWriter* dumpWriter; |
| 130 |
|
StatWriter* statWriter; |
| 131 |
– |
RestWriter* restWriter; |
| 131 |
|
Thermo thermo; |
| 132 |
|
|
| 133 |
|
RealType runTime; |