MD simulation trajectory and related files for POPC bilayer with 340mM CaCl_2 (Berger model delivered by Tieleman, ffgmx ions, Gromacs 4.5)
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下载链接：
https://zenodo.org/records/32173
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资源简介：
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads) double bonds updated in http://dx.doi.org/10.1021/jp065424f, ffgmx parameters for ions, 50ns, T=298K, 128 POPC molecules, 7157 water molecules, 44 Na molecules, 88 Cl molecules. This data is used in the NMRLipids II project (nmrlipids.blospot.fi).
创建时间：
2020-01-24
