FILE* fp;
t_trxstatus* status;
t_topology top;
- int ePBC = -1;
+ PbcType pbcType = PbcType::Unset;
rvec * x, xcom[2], direction, center, dx;
matrix box;
real t, m, mtot;
if (ftp2bSet(efTPS, NFILE, fnm) || !ftp2bSet(efNDX, NFILE, fnm))
{
- read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &ePBC, &x, nullptr, box, bRadial);
+ read_tps_conf(ftp2fn(efTPS, NFILE, fnm), &top, &pbcType, &x, nullptr, box, bRadial);
}
if (!bRadial)
{
}
else
{
- set_pbc(&pbc, ePBC, box);
+ set_pbc(&pbc, pbcType, box);
for (i = 0; i < 2; i++)
{
if (gnx[i] == 1)