P-SHAKE: Difference between revisions
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Carl McBride (talk | contribs) (New page: An algorithm for solving arbitrary linear constraints in molecular dynamics simulations of rigid and semi-rigid molecules is presented. The algorithm - P-SHAKE - is a modified version of t...) |
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Revision as of 13:40, 12 June 2007
An algorithm for solving arbitrary linear constraints in molecular dynamics simulations of rigid and semi-rigid molecules is presented. The algorithm - P-SHAKE - is a modified version of the SHAKE.