Simulations of POPC, SOPC, DOPC, and OMPC bilayers at three different sizes

<p>Simulations of lipid bilayers with the CHARMM36 force field and TIP3P water. Three system sizes are used: small ("s", 64 lipids), medium ("m", 256 lipids), and large ("l", 1024 lipids). All simulations are 1 &micro;s long. The simulations are performed using GROMACS, and for each system the following are provided:</p> <ul> <li>index file (ndx)</li> <li>topology file (top)</li> <li>run input file (tpr)</li> <li>energy file (edr)</li> <li>trajectory file (xtc)</li> <li>checkpoint file (cpt)&nbsp;</li> <li>final structure (gro)</li> </ul> <p>The simulation parameter file (mdp) is common for all simulations. The molecular topologies (top) are included in TOP.tar.</p> <p>The CHARMM36 force field is obtained from http://mackerell.umaryland.edu/charmm_ff.shtml</p>