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education/molmod_online/simulation.md

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@@ -726,8 +726,8 @@ gmx mdrun -v -deffnm peptide-EM-solvated
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Despite dissipating most of the strain in the system, energy minimization does not consider
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temperature, and therefore velocities and kinetic energy. When first running molecular dynamics,
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the algorithm assigns velocities to the atoms, which again stresses the system and might cause the
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simulation to become unstable. To avoid possible instabilities, the preparation setup here
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describes by includes several stages of molecular dynamics that progressively remove constraints on
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simulation to become unstable. To avoid possible instabilities, the preparation setup described
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here includes several stages of molecular dynamics that progressively remove constraints on
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the system and as such, let it slowly adapt to the conditions in which the production simulation
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will run.
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