void
SimulationRunner::useStringAsMdpFile(const char *mdpString)
{
useStringAsMdpFile(std::string(mdpString));
}
void
MdrunTestFixture::useStringAsMdpFile(const char *mdpString)
{
useStringAsMdpFile(std::string(mdpString));
}
// TODO The combination of defaulting to Verlet cut-off scheme, NVE,
// and verlet-buffer-tolerance = -1 gives a grompp error. If we keep
// things that way, this function should be renamed. For now,
// force the use of the group scheme.
void
SimulationRunner::useEmptyMdpFile()
{
// TODO When removing the group scheme, update actual and potential users of useEmptyMdpFile
useStringAsMdpFile("cutoff-scheme = Group\n");
}
// TODO The combination of defaulting to Verlet cut-off scheme, NVE,
// and verlet-buffer-tolerance = -1 gives a grompp error. If we keep
// things that way, this function should be renamed. For now,
// force the use of the group scheme.
void
MdrunTestFixture::useEmptyMdpFile()
{
useStringAsMdpFile("cutoff-scheme = Group\n");
}