Published February 21, 2018
| Version v1
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CHARMM36 POPS/POPC simulations (versions 1 and 2) 298 K 1.0 nm LJ switching with K ions
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Description
CHARMM36 mixed POPS and POPC bilayer simulations (298 K, starting structure from the CHARMM-GUI with 22 POPS and 110 POPC lipids) performed with a 1.0 nm point at which to switch off the van der Waals interactions. Two different simulations generated with different starting velocities are provided (the files are named v1 and v2 for these different simulations). The trajectories contain only the data from 400-500 ns of the simulations (as per the analysis provided on the nmrlipids blog) and additionally they have been processed with trjconv -skip 10 to keep the upload small. These simulations were performed with K ions used to neutralise the system.
Files
Files
(478.9 MB)
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2.5 MB | Download |
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md5:e3849dddbfc3504f05b671179a9216ba
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233.7 MB | Download |