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GneimoSim: A modular internal coordinates molecular dynamics simulation package.
Adrien B. Larsen
Jeffrey R. Wagner
Saugat Kandel
Romelia Salomón-Ferrer
Nagarajan Vaidehi
Abhinandan Jain
Published in:
J. Comput. Chem. (2014)
Keyphrases
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molecular dynamics
molecular dynamics simulations
high performance computing
scientific data
fluid flow
protein folding
data analysis
fine grained
mathematical model