gmx_fatal(FARGS,
"The system has %d orientation restraints, but at least %d are required, since "
"there are %d fitting parameters.",
- od->nr, numFitParams + 1, numFitParams);
+ od->nr,
+ numFitParams + 1,
+ numFitParams);
}
if (ir->bPeriodicMols)
if (ms)
{
- fprintf(fplog, " the orientation restraints are ensemble averaged over %d systems\n",
- ms->numSimulations_);
+ fprintf(fplog, " the orientation restraints are ensemble averaged over %d systems\n", ms->numSimulations_);
check_multi_int(fplog, ms, od->nr, "the number of orientation restraints", FALSE);
check_multi_int(fplog, ms, od->nref, "the number of fit atoms for orientation restraining", FALSE);
fprintf(log, " order parameter: %g\n", eig[0]);
for (int i = 0; i < DIM; i++)
{
- fprintf(log, " eig: %6.3f %6.3f %6.3f %6.3f\n", (eig[0] != 0) ? eig[i] / eig[0] : eig[i],
- eig[DIM + i * DIM + XX], eig[DIM + i * DIM + YY], eig[DIM + i * DIM + ZZ]);
+ fprintf(log,
+ " eig: %6.3f %6.3f %6.3f %6.3f\n",
+ (eig[0] != 0) ? eig[i] / eig[0] : eig[i],
+ eig[DIM + i * DIM + XX],
+ eig[DIM + i * DIM + YY],
+ eig[DIM + i * DIM + ZZ]);
}
fprintf(log, "\n");
}