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Calculation of Collective Variable-based PMF by Combining WHAM with Umbrella Sampling

         

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  • 来源
    《中国物理快报:英文版》 |2012年第6期|291-294|共4页
  • 作者单位

    State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062;

    Institute of Theoretical and Computational Science,Institutes for Advanced Interdisciplinary Research,East China Normal University,Shanghai 200062;

    State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062;

    State Key Laboratory of Precision Spectroscopy,Department of Physics,East China Normal University,Shanghai 200062;

    Institute of Theoretical and Computational Science,Institutes for Advanced Interdisciplinary Research,East China Normal University,Shanghai 200062;

    3 Department of Chemistry,New York University,New York,New York 10003,USA;

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