Published December 5, 2023 | Version v1
Dataset Open

OpenFF POPC Simulation (64:64 at 300K)

Authors/Creators

Description

128 lipid bilayer (64:64) hydrated with 5000 TIP3P waters. Equilibrated for 100 ns and simulated for 200 ns at 300K. Full input and output from: https://github.com/PEFrankel/OpenFF_Bilayer.

Parameters generated by OpenFF Toolkit (Mobley et al., 2018) + Interchange (https://zenodo.org/records/8229243). Forcefield line: 'openff-2.1.0.offxml' from OpenFF Sage (Boothroyd et al., 2023 / https://zenodo.org/records/7889050)

Files

Files (2.4 GB)

Name Size
md5:1eb5521441c48b806f880457c2ae8bb5
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md5:c1c3e89634b29f4d6b31eed557b72292
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md5:dd4eabc88c8b6d9f897019153adb92e2
2.2 kB Download