https://www.selleckchem.com/pr....oducts/baf312-siponi
Transferring particle charges to and from a grid plays a central role in the particle-mesh algorithms widely used to evaluate the electrostatic energy in molecular dynamics (MD) simulations. The computational cost of this transfer process represents a substantial part of the overall time required for simulation and is primarily determined by the size of the support (the set of grid nodes at which the transfer function is evaluated). The accuracy of the resulting approximation depends on the form of the transfer function, of whi
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