Restraint test files
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资源简介：
Restraint regression testing files. industry_benchmark_systems: Inputs taken from the industry benchmarks found here. A single ligand for each system is included in an SDF, with the expected restraint parameters saved as SDTags. The protein is saved as a PDB. t4_lysomzyme_trajectory: an example trajectory from plain MD with PDB topology file.
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Zenodo创建时间：
2025-04-14
