int nset[3] = { 0, 0, 0 };
t_topology* top;
- int ePBC;
+ PbcType pbcType;
char* buf;
t_trxstatus* status;
int i, j, k, m, nnn, teller, ncg;
return 0;
}
- top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC);
+ top = read_top(ftp2fn(efTPR, NFILE, fnm), &pbcType);
cg = mk_charge(&top->atoms, &ncg);
snew(cgdist, ncg);
snew(nWithin, ncg);
srenew(time, teller + 1);
time[teller] = t;
- set_pbc(&pbc, ePBC, box);
+ set_pbc(&pbc, pbcType, box);
for (i = 0; (i < ncg); i++)
{