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Published December 17, 2014 | Version v2
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MD simulation trajectory and related files for POPC/cholesterol (50 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, 64 POPC molecules, 10314 water molecules, 64 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 (8.3 GB)

Name Size Download all
md5:51a4733198e5213f9434b6071a06b79a
11.3 kB Download
md5:8326f2d6eea592be908cc00bc3f713ff
1.4 kB Download
md5:1396ed3914074fe906f1324003ab03c7
318 Bytes Download
md5:1d756541b739fc4f882b0de7948627e4
2.5 MB Download
md5:b7a48fdf08f91eeb6c456809447c2d1e
1.3 kB Download
md5:015d3f125c967cfbcba116f8181fe436
169 Bytes Download
md5:2a3eff21d55ec23e73180f1e3b42b05a
30.8 kB Download
md5:1247c0fd3eee68ff169c9d3a444edfca
62.1 kB Download
md5:c18349ffd02b3cfef95ea499e08ac0fd
34.3 kB Download
md5:fe302e7acf1ea37f99f2a60b18cbebe1
1.2 MB Download
md5:f6d091826043d0503bcfe8516b08bec3
2.0 GB Download
md5:e80cfa6fab7df15b1ebc632c365270f4
2.0 GB Download
md5:54539d75de1f6d83160244b4ddfe5eb4
4.3 GB Download

Additional details

References

  • nmrlipids.blogspot.fi
  • Ferreira et al. Phys. Chem. Chem. Phys., 2013,15, 1976-1989