double MINBIN[3];
double MAXBIN[3];
t_topology top;
- int ePBC;
+ PbcType pbcType;
t_trxframe fr;
rvec* xtop;
matrix box, box_pbc;
return 0;
}
- read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &xtop, nullptr, box, TRUE);
+ read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &pbcType, &xtop, nullptr, box, TRUE);
sfree(xtop);
atoms = &(top.atoms);
if (bPBC)
{
- gpbc = gmx_rmpbc_init(&top.idef, ePBC, natoms);
+ gpbc = gmx_rmpbc_init(&top.idef, pbcType, natoms);
}
/* This is the main loop over frames */
do
if (bPBC)
{
gmx_rmpbc_trxfr(gpbc, &fr);
- set_pbc(&pbc, ePBC, box_pbc);
+ set_pbc(&pbc, pbcType, box_pbc);
}
for (i = 0; i < nidx; i++)