Berger POPC pure bilayer simulation (300 K, with 256 POPC lipids fully hydrated with 40 water molecules per lipid). The trajectory contains the whole simulation from 0 to 300 ns skipped every 100 ps and centered on the P atoms. No ions were added as there is no global net charge in the system. This bilayer was used to calculate the order parameter and the area per lipid for the NMRlipids IV project (on the time window 100-300 ns). </p
MacRog POPC/POPE 1:1 bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file wa...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...
Berger POPC pure bilayer simulation (300 K, with 256 POPC lipids fully hydrated with 40 water molecu...
Berger DOPC pure bilayer simulation (300 K, with 256 DOPC lipids fully hydrated with 43 water molecu...
<p>CHARMM36 POPC pure bilayer simulation (300 K, starting structure from CHARMM-GUI with 256 POPC li...
Berger POPC/DOPE (50:50 ratio) bilayer simulation (300 K, with 128 POPC and 128 DOPE lipids fully hy...
<p>CHARMM36 POPC 50% POPE 50% bilayer simulation (300 K, starting structure from CHARMM-GUI with 128...
Berger POPC/POPE (50:50 ratio) bilayer simulation (300 K, with 128 POPC and 128 POPE lipids fully hy...
Berger DOPC/DOPE (50:50 ratio) bilayer simulation (300 K, with 128 DOPC and 128 DOPE lipids fully hy...
MacRog POPC pure bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file was mo...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by ...
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Pet...
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Pet...
Equilibrated POPC lipid bilayer simulation in low hydration (7 water per lipid molecule) ran with Gr...
MacRog POPC/POPE 1:1 bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file wa...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...
Berger POPC pure bilayer simulation (300 K, with 256 POPC lipids fully hydrated with 40 water molecu...
Berger DOPC pure bilayer simulation (300 K, with 256 DOPC lipids fully hydrated with 43 water molecu...
<p>CHARMM36 POPC pure bilayer simulation (300 K, starting structure from CHARMM-GUI with 256 POPC li...
Berger POPC/DOPE (50:50 ratio) bilayer simulation (300 K, with 128 POPC and 128 DOPE lipids fully hy...
<p>CHARMM36 POPC 50% POPE 50% bilayer simulation (300 K, starting structure from CHARMM-GUI with 128...
Berger POPC/POPE (50:50 ratio) bilayer simulation (300 K, with 128 POPC and 128 POPE lipids fully hy...
Berger DOPC/DOPE (50:50 ratio) bilayer simulation (300 K, with 128 DOPC and 128 DOPE lipids fully hy...
MacRog POPC pure bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file was mo...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by ...
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Pet...
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Pet...
Equilibrated POPC lipid bilayer simulation in low hydration (7 water per lipid molecule) ran with Gr...
MacRog POPC/POPE 1:1 bilayer simulation. Starting structure from CHARMM-GUI: the initial PDB file wa...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...
<p>Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 60ns, T=303K, 72 POPC ...