{
}
+// 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("");
+ useStringAsMdpFile("cutoff-scheme = Group\n");
}
void