Simulaid: A simulation facilitator and analysis program

@article{Mezei2010SimulaidAS,
  title={Simulaid: A simulation facilitator and analysis program},
  author={Mihaly Mezei},
  journal={Journal of computational chemistry},
  year={2010},
  volume={31 14},
  pages={
          2658-68
        }
}
  • Mihaly Mezei
  • Published in J. Comput. Chem. 2010
  • Computer Science, Medicine
  • Journal of computational chemistry
  • Simulaid performs a large number of simulation-related tasks: interconversion and modification of structure and trajectory files, optimization of orientation, and a large variety of analysis functions. The program can handle structures in PDB (Berman et al., Nucleic Acids Res 2000, 28, 235), Charmm (Brooks et al., J Comput Chem 4, 187) CRD, Amber (Case et al.), Macromodel (Mohamadi et al., J Comput Chem 1990, 11, 440), Gromos/Gromacs (Hess et al.), InsightII (InsightII. Accelrys Inc.: San Diego… CONTINUE READING

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