Gromacs
2020-beta1
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Functions | |
std::string | generateTprInput (TestFileManager *fileManager, const std::string &filename) |
Generates a tpr for the test. More... | |
std::string gmx::test::anonymous_namespace{dump.cpp}::generateTprInput | ( | TestFileManager * | fileManager, |
const std::string & | filename | ||
) |
Generates a tpr for the test.
Generates the tpr from a sample pdb file using grompp,and returns the path to the file as std::string for reading it in later.
[in] | fileManager | Filemanager to keep track of the input file. |
[in] | filename | Basename of the input and output files. |