{
fprintf(out, "; distance restraints for %s of %s\n\n", indexGroupNames, title);
fprintf(out, "[ distance_restraints ]\n");
- fprintf(out, ";%4s %5s %1s %5s %10s %10s %10s %10s %10s\n", "i", "j", "?", "label",
- "funct", "lo", "up1", "up2", "weight");
+ fprintf(out,
+ ";%4s %5s %1s %5s %10s %10s %10s %10s %10s\n",
+ "i",
+ "j",
+ "?",
+ "label",
+ "funct",
+ "lo",
+ "up1",
+ "up2",
+ "weight");
}
for (i = k = 0; i < igrp; i++)
{
}
lo = std::max(0.0_real, d - dd);
hi = d + dd;
- fprintf(out, "%5d %5d %1d %5d %10d %10g %10g %10g %10g\n", indexGroups[i] + 1,
- indexGroups[j] + 1, 1, k, 1, lo, hi, hi + disre_up2, 1.0);
+ fprintf(out,
+ "%5d %5d %1d %5d %10d %10g %10g %10g %10g\n",
+ indexGroups[i] + 1,
+ indexGroups[j] + 1,
+ 1,
+ k,
+ 1,
+ lo,
+ hi,
+ hi + disre_up2,
+ 1.0);
}
}
}