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Gromacs
2026.0-dev-20251119-5f0a571d
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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 () |
1.8.5