gmx_fio_fclose(out);
break;
case efTPR:
- case efTPB:
- case efTPA:
gmx_fatal(FARGS, "Sorry, can not write a topology to %s", outfile);
break;
default:
gmx_fio_fclose(out);
break;
case efTPR:
- case efTPB:
- case efTPA:
gmx_fatal(FARGS, "Sorry, can not write a topology to %s", outfile);
break;
default:
case efESP:
*natoms = get_espresso_coordnum(infile);
break;
- case efTPA:
- case efTPB:
case efTPR:
{
t_tpxheader tpx;
read_espresso_conf(infile, atoms, x, v, box);
break;
case efTPR:
- case efTPB:
- case efTPA:
snew(mtop, 1);
i = read_tpx(infile, NULL, box, &natoms, x, v, NULL, mtop);
if (ePBC)