Discussions

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  customFunction module as reaction coordinate

  satyajitkhatua09 asked May 7, 2024 in Q&A · Answered

  

  

  

  

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  GPU preparation work

  NAMD

  jvermaas started Jul 21, 2020 in Ideas

  

  

  

  

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  Doc reorganization

  jhenin started Apr 15, 2024 in Ideas

  

  

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  Calculating biasing forces from Well-tempered Metadynamics simulations

  Praveen-Prabhakar asked Mar 27, 2024 in Q&A · Answered

  

  

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  Reorganize Colvars repo tree

  documentation Only affects manual and other docs maintenance No user-visible effects

  jhenin started Jun 29, 2023 in General

  

  

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  For the output result of CVHD with colvars module , how to obtain the value of global collective variable（cv） η according to the paper，whose title is 'Merging metadynamics into hyperdynamics: accelerated molecular simulations Reaching time scales from microseconds to seconds'

  12jscvb asked Feb 24, 2024 in Q&A · Unanswered

  

  

  

  

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  Dark mode and VMD - invisible text

  balazsfabian started Feb 26, 2024 in Ideas

  

  

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  Droplets Coalescence

  nguyen2504to asked Sep 13, 2023 in Q&A · Answered

  

  

  

  

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  Restarting simulation with colvars

  NAMD

  Praveen-Prabhakar asked May 27, 2023 in Q&A · Answered

  

  

  

  

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  Move cvm::atom member data to synchronized vectors within cvm::atom_group

  important optimization

  giacomofiorin started Jun 8, 2016 in Ideas

  

  

  

  

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  Should we convert most parse_silent options to parse_echo ?

  question parser Only affects the input parser

  jhenin started Mar 11, 2020 in Ideas

  

  

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  More flexible bias-specific grid parameters

  jhenin started Apr 8, 2020 in Ideas

  

  

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