Simulation Trajectories: "Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor"

* Simulations described in the following paper:Miao Y &amp; McCammon JA (2016) Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor. Proc Natl Acad Sci U S A, 113(43):12162–12167. PMCID: PMC5087018.<br>* Simulation lengths: system 4mqs-apo-pro-mem-wb-0.15MID 1 2 3duration(ns) 410 460 430<br>system 3uon-apo-c36-pro-mem-wb-0.15MID 1 2 3duration(ns) 400 400 400<br>system 3uon-c36-pro-mem-wb-0.15MID 1 2 3duration(ns) 405 405 400<br>system 4mqs-nb-arc-pro-mem-wb-0.15MID 1 2 3duration(ns) 402 405 400<br>system 4mqs-nb-ixo-pro-mem-wb-0.15MID 1 3 2duration(ns) 500 400 500<br>system 4mqs-arc-pro-mem-wb-0.15MID 1 2 3 4 5 6 7 8 9 10duration(ns) 2030 1520 1190 650 650 650 620 600 600 540<br>system 4mqs-ixo-pro-mem-wb-0.15MID 1 2 3 4 5 6 7 8 9 10duration(ns) 1050 1000 940 500 500 500 500 480 450 410<br>* List of simulation trajectores:3uon-c36-pro-mem-wb-0.15M-sim-1.nc3uon-c36-pro-mem-wb-0.15M-sim-2.nc3uon-c36-pro-mem-wb-0.15M-sim-3.nc4mqs-arc-pro-mem-wb-0.15M-sim-1.nc4mqs-arc-pro-mem-wb-0.15M-sim-2.nc4mqs-arc-pro-mem-wb-0.15M-sim-3.nc4mqs-arc-pro-mem-wb-0.15M-sim-4.nc4mqs-arc-pro-mem-wb-0.15M-sim-5.nc4mqs-arc-pro-mem-wb-0.15M-sim-6.nc4mqs-arc-pro-mem-wb-0.15M-sim-7.nc4mqs-arc-pro-mem-wb-0.15M-sim-8.nc4mqs-arc-pro-mem-wb-0.15M-sim-9.nc4mqs-arc-pro-mem-wb-0.15M-sim-10.nc4mqs-ixo-pro-mem-wb-0.15M-sim-1.nc4mqs-ixo-pro-mem-wb-0.15M-sim-2.nc4mqs-ixo-pro-mem-wb-0.15M-sim-3.nc4mqs-ixo-pro-mem-wb-0.15M-sim-4.nc4mqs-ixo-pro-mem-wb-0.15M-sim-5.nc4mqs-ixo-pro-mem-wb-0.15M-sim-6.nc4mqs-ixo-pro-mem-wb-0.15M-sim-7.nc4mqs-ixo-pro-mem-wb-0.15M-sim-8.nc4mqs-ixo-pro-mem-wb-0.15M-sim-9.nc4mqs-ixo-pro-mem-wb-0.15M-sim-10.nc4mqs-nb-arc-pro-mem-wb-0.15M-sim-1.nc4mqs-nb-arc-pro-mem-wb-0.15M-sim-2.nc4mqs-nb-arc-pro-mem-wb-0.15M-sim-3.nc4mqs-nb-ixo-pro-mem-wb-0.15M-sim-1.nc4mqs-nb-ixo-pro-mem-wb-0.15M-sim-2.nc4mqs-nb-ixo-pro-mem-wb-0.15M-sim-3.nc<br>stride: 100 ps / frame<br>* PSF/PDB files for loading the trajectories:3uon-apo-c36-pro-mem-wb-0.15M-pro.pdb3uon-apo-c36-pro-mem-wb-0.15M-pro.psf3uon-c36-pro-mem-wb-0.15M-pro.pdb3uon-c36-pro-mem-wb-0.15M-pro.psf4mqs-apo-pro-mem-wb-0.15M-pro.pdb4mqs-apo-pro-mem-wb-0.15M-pro.psf4mqs-arc-pro-mem-wb-0.15M-pro.pdb4mqs-arc-pro-mem-wb-0.15M-pro.psf4mqs-ixo-pro-mem-wb-0.15M-pro.pdb4mqs-ixo-pro-mem-wb-0.15M-pro.psf4mqs-nb-arc-pro-mem-wb-0.15M-pro.pdb4mqs-nb-arc-pro-mem-wb-0.15M-pro.psf4mqs-nb-ixo-pro-mem-wb-0.15M-pro.pdb4mqs-nb-ixo-pro-mem-wb-0.15M-pro.psf<br>