Chris Sweet's Normal Mode page.
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Reports on Normal Mode Integrators in Protomol.
First (very) short report.
Report 1.
Results from the implementation of Normal Mode Integrator in Protomol.
Comparison of eigenvalue and 'real force' Normal Modes for single water molecule.
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Expected maximum timestep for Alanine Dipeptide, compared to removed modes. Assumes 2.5fs timestep for normal MD.
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Highest frequency mode trajectory, using integrated and minimized force methods.
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Expected maximum speedup for Calmodulin.
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