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Scalable molecular dynamics with NAMD

✍ Scribed by James C. Phillips; Rosemary Braun; Wei Wang; James Gumbart; Emad Tajkhorshid; Elizabeth Villa; Christophe Chipot; Robert D. Skeel; Laxmikant Kalé; Klaus Schulten

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
977 KB
Volume
26
Category
Article
ISSN
0192-8651

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We prcscnl and dlustratc a s~mplc approach for carrying oul molecular dynamics sirnulal~ons sugcct IO slocha$r~c boundary condlllons. hfclhods of this Iypc arc cvpcclcd to bc useful m the study of chcmuxl rcactlons and olhcr Ioc~Iued proccsscs m dense mcdla.