A method to obtain a near-minimal-volume molecular simulation of a macromolecule, using periodic boundary conditions

Henk Bekker1, Jur P van den Berg, Tsjerk A Wassenaar

  • 1Institute for Mathematics and Computing Science, University of Groningen, P.O.B. 800 9700 AV Groningen, The Netherlands. bekker@cs.rug.nl

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