Abstract
A compact formula and efficient algorithm for calculating the metric pseudo-potential forces required in simulations of chains with constrained bond lengths to mimic the behavior of infinitely stiff bead-spring chains are presented. Both are significantly simpler than the algorithms of Grassia and Hinch, and yield efficient code.
Original language | English (US) |
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Pages (from-to) | 1834-1838 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 116 |
Issue number | 5 |
DOIs | |
State | Published - Feb 1 2002 |
Externally published | Yes |
Bibliographical note
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