MTK++ Latest version: 0.2.0

watProtonate.cpp File Reference

Protonates water molecule. More...

#include "watProtonate.h"
#include "collection.h"
#include "molecule.h"
#include "submolecule.h"
#include "atom.h"
#include "element.h"
#include "bond.h"
#include "stdLibrary.h"
#include "stdGroup.h"
#include "stdFrag.h"
#include "parameters.h"
#include "utility.h"
#include "Utils/vector3d.h"
#include "Utils/constants.h"
#include "Utils/idObject.h"
#include "Log/errorHandler.h"
#include "Diagnostics/MTKException.h"
#include <sstream>
#include <math.h>
#include <cmath>
Include dependency graph for watProtonate.cpp:


namespace  MTKpp

MTK++ namespace.

Detailed Description

Protonates water molecule.

This code was adapted from the gwh.f code in AMBER9 Written by : Algorithm by : Shuichi Miyamoto, D.A. Case : Converted to C++ : Martin Peters

2010/08/19 11:33:30


MTK++ - C++ package of modeling libraries.

Copyright (C) 2005-2006 (see AUTHORS file for a list of contributors)

This file is part of MTK++.

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MTK++ is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lessser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this program. If not, see <>.


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