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GneimoSim: A modular internal coordinates molecular dynamics simulation package.

Adrien B. LarsenJeffrey R. WagnerSaugat KandelRomelia Salomón-FerrerNagarajan VaidehiAbhinandan Jain
Published in: J. Comput. Chem. (2014)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • fluid flow
  • protein folding
  • data analysis
  • fine grained
  • mathematical model