Published February 20, 2015
| Version v1
Dataset
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MD simulation trajectory and related files for POPC bilayer (Chiu et al. Gromos version, Gromacs 4.5)
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Chiu et al. force field (http://dx.doi.org/10.1021/jp807056c), 50ns, T=298K, 128 POPC molecules, 3552 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi. If data is used, please cite nmrlipids.blogspot.fi project and the original publication of the parameters (http://dx.doi.org/10.1021/jp807056c).
Files
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(1.9 GB)
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md5:24e012ac68d9354acc79e3ea52b3c3a7
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md5:2d7c8f6c795f44e114c3a22cfcd85081
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md5:929a8c79389764e08ff21bc18953c66a
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md5:e2a621b9a861e2cb311ebe5eb17373c8
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md5:aec559e93032e55838f1dc5cd60a36b7
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md5:77fce644d9748be11b44a8196ca59410
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md5:bd8ffeacd4fad442a39cae031666b274
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md5:37e43e23d8852f6c5270097a7593eacf
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499.2 kB | Download |
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md5:bdcbb724c9c22d940abbffbdd102b395
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1.9 GB | Download |
Additional details
References
- nmrlipids.blogspot.fi
- An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers
- See-Wing Chiu, Sagar A. Pandit, H. L. Scott and Eric Jakobsson
- J. Phys. Chem. B, 2009, 113 (9), pp 2748–2763