Published December 17, 2014
| Version v2
Dataset
Open
MD simulation trajectory and related files for POPC/cholesterol (60 mol%) bilayer (Berger model delivered by Tieleman, modified Höltje, Gromacs 4.5)
- 1. Aalto University
- 2. Lund University
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads), Modified Höltje model for cholesterol (http://dx.doi.org/10.1016/S0005-2736(01)00270-X), 50ns, T=298K, 50 POPC molecules, 5782 water molecules, 78 cholesterol molecules. This data is used in http://dx.doi.org/10.1039/C2CP42738A and in the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi. If data is used, please cite [Ferreira et al. Phys. Chem. Chem. Phys., 2013,15, 1976-1989], the nmrlipids.blogspot.fi project and the original publication related to the force field.
Files
Files
(5.3 GB)
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md5:51a4733198e5213f9434b6071a06b79a
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11.3 kB | Download |
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md5:049cf95ef17d0734862bcbda0a184af3
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1.4 kB | Download |
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md5:3c8e737c697bc066a4e4afdeb1f89360
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319 Bytes | Download |
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md5:99bc9ffe255a7d8c66867d89a91681de
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1.5 MB | Download |
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md5:b7a48fdf08f91eeb6c456809447c2d1e
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1.3 kB | Download |
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md5:015d3f125c967cfbcba116f8181fe436
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169 Bytes | Download |
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md5:2a3eff21d55ec23e73180f1e3b42b05a
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30.8 kB | Download |
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md5:1247c0fd3eee68ff169c9d3a444edfca
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62.1 kB | Download |
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md5:c18349ffd02b3cfef95ea499e08ac0fd
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34.3 kB | Download |
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md5:627538fad04631af78eeb042be52ff71
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14.4 kB | Download |
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md5:465b19fe47922a51623211242aa7056a
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734.0 kB | Download |
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md5:890d4c114db62cd575a13bf16ee93ac1
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1.3 GB | Download |
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md5:ba924549f6282f9c2895cbaff67cc933
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1.3 GB | Download |
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md5:60d5c8fd942b560811312b78565f30ef
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2.7 GB | Download |
Additional details
References
- nmrlipids.blogspot.fi
- Ferreira et al. Phys. Chem. Chem. Phys., 2013,15, 1976-1989