Published April 18, 2024
| Version v1
Dataset
Open
Simulation of DMPS monolayer (CHARMM36, apl 70/80 A2, 50 mM)
Authors/Creators
-
1.
Lomonosov Moscow State University
-
2.
Institute of Bioorganic Chemistry
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3.
Frumkin Institute of Physical Chemistry and Electrochemistry
Description
FF: CHARMM36
Engine: GROMACS 5.1.4
70A^2
Preequilibration: 0 ns.
Trajectory length: 400+ ns
System: 100 DMPS + 10,000 SOL + 10KCl
80A^2
Preequilibration: 0 ns.
Trajectory length: 400+ ns.
System: 100 DMPS + 10,000 SOL + 10KCl
Files
ff.zip
Files
(31.3 GB)
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Additional details
Related works
- Is published in
- Publication: 10.1021/acs.langmuir.9b01450 (DOI)
Dates
- Created
-
2018-06-15MD trajectory simulated