diff --git a/pygmx/tpxio.pyx b/pygmx/tpxio.pyx index 0afcdf9..7656452 100644 --- a/pygmx/tpxio.pyx +++ b/pygmx/tpxio.pyx @@ -68,7 +68,7 @@ cdef atoms_from_topology(gmx_mtop_t *topology): mol_atoms.append(( resid, resname, - c_atoms.atomname[0][i_atom], + c_atoms.atomname[i_atom][0], )) mol_q.append(c_atoms.atom[i_atom].q) mol_m.append(c_atoms.atom[i_atom].m)