GROMACS

when g_order is used for tetrahedrality order, but all outputing results is zero.

1. checking the src file: src/tools/gmx_order.c
2. the problem is
The key code lines have been annotated:
The 170-171 lines of the src file look like:
/* sgmol[i] += 3*cost2/32;
sgmol[i] += cost2; /
3. the possible modification
/ sgmol[i] += 3*cost2/32; */
sgmol[i] += cost2;

This is a trivial bug.
Yusong Tu.