Gromacs
2024.4
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#include <gromacs/mdtypes/multipletimestepping.h>
Struct for passing the MTS mdp options to setupMtsLevels()
Public Attributes | |
int | numLevels = 0 |
The number of MTS levels. | |
std::string | level2Forces |
The names of the force groups assigned by the user to level 2, internal index 1. | |
int | level2Factor = 0 |
The step factor assigned by the user to level 2, internal index 1. | |