POPC presto openff force fields
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资源简介:
simulation 500 ns production. 128 POPC lipids, 40 waters/lipid, 303K two separate simulations are in this record, both are modifications to sage2.3.0 + presto models trained on phsopahte group mace-omol-0-extra-large_finlay-lipid.offxml, nagl ash-gc charge model aimnet2-finlay-reproduce-lipid.offxml, nagl ash-gc charge model
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Zenodo创建时间:
2026-06-18



