Gromacs
2024.4
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#include "gmxpre.h"
#include "gromacs/gmxpreprocess/readir.h"
#include <string>
#include <gtest/gtest.h>
#include "gromacs/fileio/warninp.h"
#include "gromacs/mdrun/mdmodules.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/utility/cstringutil.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/textreader.h"
#include "gromacs/utility/textwriter.h"
#include "gromacs/utility/unique_cptr.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
#include "testutils/testfilemanager.h"
Test routines that parse mdp fields from grompp input and writes mdp back out.
In particular these will provide test coverage as we refactor to use a new Options-based key-value-style mdp implementation to support a more modular mdrun.