#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/futil.h"
+#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
#define e2d(x) ENM2DEBYE*(x)
gmx_rmpbc_t gpbc = nullptr;
gnx_tot = gnx[0];
- if (ncos > 1)
+ if (ncos == 2)
{
gnx_tot += gnx[1];
}
+ GMX_RELEASE_ASSERT(ncos == 1 || ncos == 2, "Invalid number of groups used with -ncos");
vol_aver = 0.0;