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Molecular dynamics timestep

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  • meet_kum04
    Hi I am doing simulated annealing on extended structure in CNS using anneal.inp input file. If when I change the molecular dyanmics timestep for high
    Message 1 of 1 , Aug 30, 2013
      Hi
       
      I am doing simulated annealing on extended structure in CNS using anneal.inp input file.

      If when I change the molecular dyanmics timestep for high temperature and slow-cool annealing stage it does not work.
      Why is it so?

      Thanks,
      Kumud Agarwal
      IIT Bombay
      Mumbai
      India
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