svmul(0.5,h1,center1); /* center is geometric mean */
break;
default: /* group 1 does none of the above */
- gmx_fatal(FARGS,"Something wrong with contents of index file.\n");
+ gmx_fatal(FARGS,"Something wrong with contents of index file. Groups should contain 2 or 3 atoms.\n");
}
switch(gnx2)