Published February 7, 2022
| Version v1
Dataset
Open
GROMOS-CKP POPC bilayer simulation at 298K (rvdw = 1.0 nm)
Description
Simulation of a POPC bilayer of 500 lipids (250 per leaflet) is simulated for 500 ns using Gromacs at 298 K. The GROMOS-CKP model is employed for lipids and SPC for water. Simulation is identical to https://doi.org/10.5281/zenodo.3247434 with the exception of the temperature. Force field files are from https://lipidbook.org/.
NOTE: This is run with 1.0 nm cut-off even though 1.4 nm should be used with GROMOS-CKP
Trajectory (.xtc) is for the last 350 ns of a simulation of 500 ns with data saved every 10 ps.
Files
Files
(13.4 GB)
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md5:459363163a965e6984582407d502f772
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md5:dcd7c6c7be5ec023a4da60f3d269b307
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11.3 kB | Download |
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md5:85a31b565498af43c12e96a3077636a1
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2.4 MB | Download |
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md5:c77bcdeaac6f159f087c6b31638badba
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168.0 MB | Download |
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md5:bcbbbe59fc61461e2881fa8505e60bc8
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7.0 MB | Download |
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md5:0a8a5fb24cf6ddf0b7703742a78cabea
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2.5 MB | Download |
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md5:4a003b4eada82a4d05e32496bdabf091
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13.2 GB | Download |
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md5:9c6b8759f6e42a4ae900728dd576c945
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1.4 kB | Download |
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md5:a1e8ba87a4a91e28ecec1fc894675e5a
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453 Bytes | Download |