Trajectories for EmrE (faRM)

These are the molecular dynamics trajectories for a refined EmrE model, as described by Vermaas et al. 2016. There are 25 trajectories total, each with 1001 frames. 5 trajectories are for the doubly deprotonated (apo) state, 5 have a proton on the "A" monomer (PA), 5 on the "B" monomer (PB), 5 are protonated on both glutamate residues (Protonated), and 5 are doubly deprotonated states with TPP+ bound. To load a trajectory in VMD, one might do the following:

mol new Apo-01.psf
mol addfile Apo-01.dcd waitfor all

For PyMol, the following is recommended:

load Apo-01.pdb
load_traj Apo-01.dcd