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keisuke-yanagisawa / exprorer_msmd

MSMD (mixed-solvent molecular dynamics) engine and analysis tools
MIT License
17 stars 4 forks source link

Top and Gro input #31

Open keisuke-yanagisawa opened 7 months ago

keisuke-yanagisawa commented 7 months ago

exprorer_msmd has limited function for system generation and it cannot accept system input. Accpting system input enables users to conduct arbitral MSMD simulation.