non-bilayer_simulations
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non-bilayer_simulations [2017/11/08 10:37] – admin | non-bilayer_simulations [2021/11/07 18:42] (current) – [Protein Analysis] edit | ||
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- | Example Setups: | + | ==== Protein and FEP Simulations ==== |
- | [[ REST2 ]] | ||
- | [[Water Soluble Protein ]] Equilibration and Production Run | + | [[ REST2 ]] for enhanced sampling using solute tempering. |
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+ | [[Water Soluble Protein ]] Equilibration and Production Run. | ||
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+ | Free Energy Perturbation ([[FEP]]) | ||
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+ | ==== Protein Analysis ==== | ||
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+ | Phi/psi [[ Map ]] | ||
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+ | [[Secondary structure vs time]] | ||
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+ | ==== Gas Hydrate Simulations ==== | ||
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+ | [[Simulating Hydrocarbon Mixtures]] | ||
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+ | [[Building a Hydrate Lattice]] |
non-bilayer_simulations.1510155475.txt.gz · Last modified: 2017/11/08 10:37 by admin