Gromacs
2026.0-dev-20250214-7b4ebd1
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Functions | |
void | setAndCheckMtsLevels (const GromppMtsOpts &mtsOpts, t_inputrec *ir, const int numExpectedErrors) |
brief Sets up the MTS levels in ir and tests whether the number of errors matches numExpectedErrors | |
GromppMtsOpts | simpleMtsOpts () |