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[umbrella sampling] Can I use "pull_coord1_geometry = direction" for complexes with cyclodextrins?
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1
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15
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March 9, 2026
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Pull code (umbrella, distance): Fatal error "Pull reference distance … needs to be non-negative"
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1
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33
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February 11, 2026
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PMF for angle rotations
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2
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736
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December 19, 2025
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Pull code on a long filament
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7
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97
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August 12, 2025
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Osmotic pressure simulations using the pull code
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6
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107
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August 7, 2025
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Query about pullf.xvg plot
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4
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89
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July 23, 2025
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Pulling simulations help
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1
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93
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June 28, 2025
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Simple Pulling script 1D 1 group
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0
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32
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May 17, 2025
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LINCS error while performing pull simulations?
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17
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178
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March 18, 2025
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Unfolding a 574 aa protein
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0
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56
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February 3, 2025
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Simultaneous Pulling of Multiple Protein Segments to Different Target Distances in GROMACS
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4
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101
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December 2, 2024
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Pull-force error
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5
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58
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November 15, 2024
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Gromacs umbrella sampling error for pull force calculation
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4
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136
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October 30, 2024
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Rate and force unit conversion for pulling paramters
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1
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204
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October 2, 2024
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How to understand the output after pulling force is applied?
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11
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449
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September 20, 2024
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How to apply constant pull force at two ends of a molecule?
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2
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237
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September 10, 2024
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Pull code for a single window
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3
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46
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August 22, 2024
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Soft/Stiff Spring
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1
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96
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August 19, 2024
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Free energy calculation with fixed relative position
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2
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109
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August 12, 2024
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Question about absolute reference point/warning for pulling a protein between solvents
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0
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97
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July 14, 2024
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Another Problem with Distances Between Pull Groups
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3
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825
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July 14, 2024
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Issues with Pulling Protein Through a Pore: High Forces and Restraint Effects
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2
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106
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July 11, 2024
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COM pulling of large groups:
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1
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430
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May 6, 2024
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Steered MD doesn't produce expected force graph
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1
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218
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April 8, 2024
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Assistance Needed with Pulling a Protein Aggregate Through a Protein Pore
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1
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201
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April 1, 2024
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Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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0
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265
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March 27, 2024
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AWH reaction coordinate
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2
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672
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February 14, 2024
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Water flow through a nanopore
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3
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572
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February 2, 2024
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Using AWH for bilayer permeability
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15
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1175
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December 21, 2023
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An error occurred in the pull code to implement the methane gas compression process under a certain
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0
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192
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December 8, 2023
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