Pointer was dissolved in the wrong order.

This led to wrong atom names and eventually to seg faults.
2016-06-09 10:50:16 +02:00
parent b3f4de0567
commit cabd68f287
1 changed files with 1 additions and 1 deletions
--- 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)