Implement the GBEMP Force Field in LAMMPS

The GBEMP model requires some additional infrastructure beyond that found in standard molecular dynamics codes. For example, because the CG particles are elliptical, they have a net orientation that must be tracked and integrated during the simulation this is most easily done using a rigid-body integrator. For this reason, we chose LAMMPS (Large-scale Atomic/Molecular 

In the future, we will parameterize more lipid species (e.g., POPE, POPG, cholesterol, etc.) and perform rigorous validation and optimization of the parameters. We will also include more features in our implementation of the model to make it more amenable to general application. 

We thank the Center for Integrated Research Computing at the University of Rochester for providing computational resource in our research. 

[2002], The Cambridge structural database A quarter of a million crystal structures and rising. Acta Crystallogr B 58, Pt 3 Pt 1, pp. 380-388. 

Berger, 0., Edholm, 0., and Jahnig, F. [1997]. Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature. Biophys] 72,5, pp. 2002-2013, doi 10.1016/S0006-3495[97]78845-3, URL http //dx,doi,org/ 10.1016/S0006-3495[97]78845-3. 

---