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AWH convergence for a charged ligand permeating a bilayer
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5
|
78
|
July 28, 2026
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Using AWH for bilayer permeability
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18
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1422
|
April 22, 2026
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AWH with direction-relative | Assertion failed: Condition: weightSum > 0
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4
|
71
|
March 25, 2026
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[umbrella sampling] Can I use "pull_coord1_geometry = direction" for complexes with cyclodextrins?
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1
|
40
|
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
|
63
|
February 11, 2026
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PMF for angle rotations
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2
|
763
|
December 19, 2025
|
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Pull code on a long filament
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7
|
148
|
August 12, 2025
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Osmotic pressure simulations using the pull code
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6
|
166
|
August 7, 2025
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Query about pullf.xvg plot
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4
|
179
|
July 23, 2025
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Pulling simulations help
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1
|
149
|
June 28, 2025
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Simple Pulling script 1D 1 group
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0
|
57
|
May 17, 2025
|
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LINCS error while performing pull simulations?
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|
17
|
244
|
March 18, 2025
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Unfolding a 574 aa protein
|
|
0
|
69
|
February 3, 2025
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Simultaneous Pulling of Multiple Protein Segments to Different Target Distances in GROMACS
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4
|
146
|
December 2, 2024
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Pull-force error
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5
|
102
|
November 15, 2024
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Gromacs umbrella sampling error for pull force calculation
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4
|
171
|
October 30, 2024
|
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Rate and force unit conversion for pulling paramters
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1
|
255
|
October 2, 2024
|
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How to understand the output after pulling force is applied?
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11
|
553
|
September 20, 2024
|
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How to apply constant pull force at two ends of a molecule?
|
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2
|
313
|
September 10, 2024
|
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Pull code for a single window
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3
|
67
|
August 22, 2024
|
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Soft/Stiff Spring
|
|
1
|
120
|
August 19, 2024
|
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Free energy calculation with fixed relative position
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2
|
140
|
August 12, 2024
|
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Question about absolute reference point/warning for pulling a protein between solvents
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0
|
116
|
July 14, 2024
|
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Another Problem with Distances Between Pull Groups
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|
3
|
881
|
July 14, 2024
|
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Issues with Pulling Protein Through a Pore: High Forces and Restraint Effects
|
|
2
|
126
|
July 11, 2024
|
|
COM pulling of large groups:
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|
1
|
483
|
May 6, 2024
|
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Steered MD doesn't produce expected force graph
|
|
1
|
235
|
April 8, 2024
|
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Assistance Needed with Pulling a Protein Aggregate Through a Protein Pore
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|
1
|
213
|
April 1, 2024
|
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Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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0
|
280
|
March 27, 2024
|
|
AWH reaction coordinate
|
|
2
|
702
|
February 14, 2024
|