POPC_AMBER_LIPID14_CaCl2_035Mol

<p>MD simulation trajectory and related files for fully hydrated POPC bilayer with 0.35M CaCl2. The LIPID14 force field was used with Gromacs 5.0.3. Ions were described by AMBER99SB-ILDN force field. Conditions: T=298.15, 128 POPC molecules, 6400 tip3p waters (lipid/water 1:50), 35 Ca, 70 Cl. 200ns trajectory&nbsp; (preceded by 5ns NPT equillibration) (2 files of 100ns).</p> <p>THE TRAJECTORY&nbsp;&quot;035M_CaCl2_POPC_AMB_100_200ns.xtc&quot; IS CORRUPTED. FOR THE UNCORRUPTED FILE PLEASE FOLLOW THE LINK:&nbsp;https://zenodo.org/record/46234</p> <p>This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi</p>