Discussions

• 2 You must be logged in to vote

  💡

  Separate (i) the calculation of CVs, biasing energies and forces from (ii) the printing of CVs, and the update of time-dependent states in the bias object

  HanatoK started Oct 30, 2024 in Ideas · Closed

  

  

  

  

  4
• 1 You must be logged in to vote

  💬

  ABF calculation in gromacs with colvar

  Adityapanda1992 started Oct 23, 2024 in General

  

  

  2
• 1 You must be logged in to vote

  🙏

  Colvars Errors to restart

  kail0221 asked Oct 26, 2024 in Q&A · Unanswered

  

  

  4
• 1 You must be logged in to vote

  💬

  calculate PMF from Umbrella sampling.

  Adityapanda1992 started Oct 11, 2024 in General

  

  

  4
• 1 You must be logged in to vote

  💡

  More flexible bias-specific grid parameters

  jhenin started Apr 8, 2020 in Ideas · Closed

  

  

  2
• 1 You must be logged in to vote

  🙏

  ABF vs WTMetaD PMF

  groponp asked Aug 10, 2024 in Q&A · Unanswered

  

  

  2
• 1 You must be logged in to vote

  🙏

  usage of abf_integrate

  meghaparashar2 asked Jul 4, 2024 in Q&A · Unanswered

  

  

  4
• 1 You must be logged in to vote

  💬

  Question on implementing a new sampling method

  vineetbansal started Jun 28, 2024 in General

  

  

  

  

  3
• 1 You must be logged in to vote

  💬

  Domain Rotation Calculation

  fxm200013 started Jun 27, 2024 in General

  

  

  1
• 1 You must be logged in to vote

  🙏

  customFunction module as reaction coordinate

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

  

  

  

  

  8
• 1 You must be logged in to vote

  💡

  GPU preparation work

  NAMD

  jvermaas started Jul 21, 2020 in Ideas

  

  

  

  

  14
• 1 You must be logged in to vote

  💡

  Doc reorganization

  jhenin started Apr 15, 2024 in Ideas

  

  

  0
• 1 You must be logged in to vote

  🙏

  Calculating biasing forces from Well-tempered Metadynamics simulations

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

  

  

  2
• 1 You must be logged in to vote

  💬

  Reorganize Colvars repo tree

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

  jhenin started Jun 29, 2023 in General

  

  

  8
• 1 You must be logged in to vote

  🙏

  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

  

  

  

  

  4
• 3 You must be logged in to vote

  💡

  Dark mode and VMD - invisible text

  balazsfabian started Feb 26, 2024 in Ideas

  

  

  2
• 1 You must be logged in to vote

  🙏

  Droplets Coalescence

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

  

  

  

  

  6
• 1 You must be logged in to vote

  🙏

  Restarting simulation with colvars

  NAMD

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

  

  

  

  

  2
• 1 You must be logged in to vote

  💡

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

  important optimization

  giacomofiorin started Jun 8, 2016 in Ideas

  

  

  

  

  11
• 1 You must be logged in to vote

  💡

  Should we convert most parse_silent options to parse_echo ?

  question parser Only affects the input parser

  jhenin started Mar 11, 2020 in Ideas

  

  

  4