Free topology in non-DD simulations
[gromacs.git] / src / programs / gmx.cpp
blob94a668eadb5d45e1ff0990dcf9deb890d2ece3b4
1 /*
2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
9 * GROMACS is free software; you can redistribute it and/or
10 * modify it under the terms of the GNU Lesser General Public License
11 * as published by the Free Software Foundation; either version 2.1
12 * of the License, or (at your option) any later version.
14 * GROMACS is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
17 * Lesser General Public License for more details.
19 * You should have received a copy of the GNU Lesser General Public
20 * License along with GROMACS; if not, see
21 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
22 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24 * If you want to redistribute modifications to GROMACS, please
25 * consider that scientific software is very special. Version
26 * control is crucial - bugs must be traceable. We will be happy to
27 * consider code for inclusion in the official distribution, but
28 * derived work must not be called official GROMACS. Details are found
29 * in the README & COPYING files - if they are missing, get the
30 * official version at http://www.gromacs.org.
32 * To help us fund GROMACS development, we humbly ask that you cite
33 * the research papers on the package. Check out http://www.gromacs.org.
35 /*! \internal \brief
36 * Implements the gmx wrapper binary.
38 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 #include "gmxpre.h"
42 #include "gromacs/commandline/cmdlineinit.h"
43 #include "gromacs/commandline/cmdlinemodulemanager.h"
44 #include "gromacs/selection/selhelp.h"
45 #include "gromacs/trajectoryanalysis/modules.h"
46 #include "gromacs/utility/exceptions.h"
48 #include "legacymodules.h"
50 int
51 main(int argc, char *argv[])
53 gmx::CommandLineProgramContext &context = gmx::initForCommandLine(&argc, &argv);
54 try
56 gmx::CommandLineModuleManager manager("gmx", &context);
57 registerTrajectoryAnalysisModules(&manager);
58 registerLegacyModules(&manager);
59 manager.addHelpTopic(gmx::createSelectionHelpTopic());
60 int rc = manager.run(argc, argv);
61 gmx::finalizeForCommandLine();
62 return rc;
64 catch (const std::exception &ex)
66 gmx::printFatalErrorMessage(stderr, ex);
67 return gmx::processExceptionAtExitForCommandLine(ex);