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shoot-302K-100ps
This dataset contains 5000 x 100 ps shooting trajectories out of each of 6 manually-identified states. Hamiltonian trajectories (velocity Verlet without thermostat) were initiated from a canonical (NVT) distribution at 302 K from within each state.
shoot-302K-100ps v1
Dec 14, 2011

  

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Dec 14, 2011
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PLEASE CITE THESE PAPERS

Long-time protein folding dynamics from short-time molecular dynamics simulations John D. Chodera, William C. Swope, Jed W. Pitera, and Ken A. Dill. Multiscale Modeling & Simulation, Special Section on Multiscale Modeling in Biology, 5(4):1214-1226 (2006) (2006) View


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