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AWH convergence for a charged ligand permeating a bilayer
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5
|
59
|
July 28, 2026
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Using AWH for bilayer permeability
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18
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1409
|
April 22, 2026
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AWH with direction-relative | Assertion failed: Condition: weightSum > 0
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4
|
66
|
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
|
34
|
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
|
62
|
February 11, 2026
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PMF for angle rotations
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2
|
760
|
December 19, 2025
|
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Pull code on a long filament
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7
|
138
|
August 12, 2025
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Osmotic pressure simulations using the pull code
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6
|
163
|
August 7, 2025
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Query about pullf.xvg plot
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4
|
174
|
July 23, 2025
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Pulling simulations help
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1
|
143
|
June 28, 2025
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Simple Pulling script 1D 1 group
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0
|
50
|
May 17, 2025
|
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LINCS error while performing pull simulations?
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|
17
|
244
|
March 18, 2025
|
|
Unfolding a 574 aa protein
|
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0
|
68
|
February 3, 2025
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Simultaneous Pulling of Multiple Protein Segments to Different Target Distances in GROMACS
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4
|
139
|
December 2, 2024
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Pull-force error
|
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5
|
95
|
November 15, 2024
|
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Gromacs umbrella sampling error for pull force calculation
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4
|
163
|
October 30, 2024
|
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Rate and force unit conversion for pulling paramters
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1
|
246
|
October 2, 2024
|
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How to understand the output after pulling force is applied?
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11
|
541
|
September 20, 2024
|
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How to apply constant pull force at two ends of a molecule?
|
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2
|
294
|
September 10, 2024
|
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Pull code for a single window
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3
|
65
|
August 22, 2024
|
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Soft/Stiff Spring
|
|
1
|
118
|
August 19, 2024
|
|
Free energy calculation with fixed relative position
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2
|
132
|
August 12, 2024
|
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Question about absolute reference point/warning for pulling a protein between solvents
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0
|
111
|
July 14, 2024
|
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Another Problem with Distances Between Pull Groups
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|
3
|
878
|
July 14, 2024
|
|
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
|
475
|
May 6, 2024
|
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Steered MD doesn't produce expected force graph
|
|
1
|
231
|
April 8, 2024
|
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Assistance Needed with Pulling a Protein Aggregate Through a Protein Pore
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|
1
|
210
|
April 1, 2024
|
|
Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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0
|
278
|
March 27, 2024
|
|
AWH reaction coordinate
|
|
2
|
698
|
February 14, 2024
|