beginfit, endfit);
nat_trx =
- corr_loop(msd, trx_file, top, ePBC, mol_file ? gnx[0] : false, gnx, index,
+ corr_loop(msd, trx_file, top, ePBC, mol_file ? gnx[0] != 0 : false, gnx, index,
(mol_file != nullptr) ? calc1_mol : (bMW ? calc1_mw : calc1_norm),
bTen, gnx_com, index_com, dt, t_pdb,
pdb_file ? &x : nullptr, box, oenv);