ORAC

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Revision as of 14:57, 3 September 2007 by Carl McBride (talk | contribs) (New page: [http://www.chim.unifi.it/orac/ ORAC] is a program for running classical simulations of biomolecules. Simulations can be carried out in the [[Microcanonical ensemb...)
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ORAC is a program for running classical simulations of biomolecules. Simulations can be carried out in the NVE, NPT, NHP, and NVT thermodynamic ensembles. The integration of the equations of motion in any ensemble can be carried out with the r-RESPA multiple time step integrator and electrostatic interactions can be handled with the Smooth Particle Mesh Ewald method.

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