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An instantaneous inelastic energy loss algorithm for use in molecular dynamics simulations

✍ Scribed by M.H. Shapiro; T.A. Tombrello


Book ID
113287672
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
338 KB
Volume
102
Category
Article
ISSN
0168-583X

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Within molecular dynamics simulations of protein᎐solvent systems the exact evaluation of long-range Coulomb interactions is computationally demanding and becomes prohibitive for large systems. Conventional truncation methods circumvent that computational problem, but are hampered by serious artifact