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keisuke-yanagisawa / exprorer_msmd

MSMD (mixed-solvent molecular dynamics) engine and analysis tools
MIT License
15 stars 2 forks source link

Huge memory consumption in probe_profile #9

Closed keisuke-yanagisawa closed 2 years ago

keisuke-yanagisawa commented 2 years ago

With 20 iters * 40 ns simulations, 182GiB machine claims too large memory consumption. This is probably because BioPython

keisuke-yanagisawa commented 2 years ago

2345ab6