/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
mtop.molblock[0].type = 0;
mtop.molblock[0].nmol = numMolecules;
mtop.natoms = numAtoms;
- gmx_mtop_finalize(&mtop);
+ mtop.finalize();
// Set up the SETTLE parameters.
const real dOH = 0.1;