Discussions

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  Transition from computeExpectations to compute_expectations - NxK instead of NxKxK matrices

  cgaimoli asked Jan 14, 2025 in Q&A · Unanswered

  

  

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  question about pressure in the reduce potential energy expresion

  matiasf86 asked Dec 5, 2023 in Q&A · Answered

  

  

  

  

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  Calculation of statistical inefficiency in pymbar

  matspunt asked Mar 14, 2023 in Q&A · Unanswered

  

  

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  Evaluating covariance of free energy (df_i) from f_i

  karanv99 started Dec 27, 2022 in General

  

  

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  pymbar 3.1 LTS Release

  mikemhenry announced Jul 29, 2022 in Announcements

  

  

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  4.0.0

  mikemhenry announced Jul 20, 2022 in Announcements

  

  

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  What would go into a point release rather than 4.0?

  mrshirts started Jun 17, 2022 in General

  

  

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  Welcome to pymbar Discussions!

  mrshirts announced Jun 17, 2022 in Announcements

  

  

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  Difference in BAR and MBAR uncertainties

  mrshirts started Jan 12, 2018 in General

  

  

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  Should the histogram code automatically correct the PMF for unequal bins?

  question

  mrshirts started Apr 25, 2020 in General

  

  

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  Submit pymbar to Journal of Open Source Software?

  question

  mrshirts started Feb 28, 2018 in General

  

  

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