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  • PolyParGen

PolyParGen

  • Openness:0 ☆☆☆
  • Document quality:2 ★★☆

PolyParGen is a free web application that automatically generates OPLS force field for molecular dynamics calculations. It is possible to create OPLS-AA parameters of macromolecules such as fullerenes with complex crosslinking structures, graphene and cyclic molecules. The generated OPLS-AA force field parameter file in Gromacs format is automatically sent to users.

Papers using PolyParGen

  • M. Yabe, K. Mori, K. Ueda, M. Takeda, Journal of Computer Chemistry, Japan -International Edition Vol. 5, 2018-0034 (2019)

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