in = fflib_open(rrdb);
- if (debug)
- {
- fprintf(debug, "%9s %5s", "Residue", "atoms");
- for (i = 0; i < ebtsNR; i++)
- {
- fprintf(debug, " %10s", btsNames[i]);
- }
- fprintf(debug, "\n");
- }
snew(header_settings, 1);
/* these bonded parameters will overwritten be when *
gmx_fatal(FARGS, "No atoms found in .rtp file in residue %s\n",
rrtp[nrtp].resname);
}
- if (debug)
- {
- fprintf(debug, "%3d %5s %5d",
- nrtp+1, rrtp[nrtp].resname, rrtp[nrtp].natom);
- for (i = 0; i < ebtsNR; i++)
- {
- fprintf(debug, " %10d", rrtp[nrtp].rb[i].nb);
- }
- fprintf(debug, "\n");
- }
firstrtp = -1;
for (i = 0; i < nrtp; i++)