Adjust plain MD simulation PDB writing & production step counter #4293

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Failed to restore: getCacheEntry failed: Request timeout: /9PtgulU8NmBj65pSriJaCZ8i1l5D1StxOo2uQ3NrtphNIX4uB5/_apis/artifactcache/cache?keys=downloads-2025-05-29-linux-64&version=fd589871226f2427db40904ab3f139f6e9fe542d5228eeb2a790fd83584854df

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Adjust plain MD simulation PDB writing & production step counter #4293

mypy

Adjust plain MD simulation PDB writing & production step counter #4293

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