********> bugfix.15 Author: Bill Ross Date: 5/28/02 Programs: Carnal Severity: Moderate Description: Exits when trying to load pdb for which prmtop indicates a box is expected. Needs to use box from prmtop. Fix: apply the following patch to amber7/src/carnal/util.c: ------------------------------------------------------------- *** OLD util.c --- NEW util.c *************** *** 1442,1447 **** --- 1442,1459 ---- int j, n; double dum, dum2; + if (format == PDB) { + if (!prm->IfBox) { + printf(" -- no box in parm!\n"); + exit(1); + } + printf("Using prmtop box for %s\n", name); + f[0] = prm->Box[0]; + f[1] = prm->Box[1]; + f[2] = prm->Box[2]; + return; + } + /* * skip to end of line */ *************** *** 1475,1481 **** f[2] = prm->Box[2]; return; } else { ! printf("Can't get box - exiting\n"); exit(1); } } --- 1487,1493 ---- f[2] = prm->Box[2]; return; } else { ! printf("Can't get box from %s - exiting\n", name); exit(1); } } -------------------------------------------------------------