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Using AWH for bilayer permeability
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18
|
1293
|
April 22, 2026
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AWH with direction-relative | Assertion failed: Condition: weightSum > 0
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4
|
49
|
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
|
17
|
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
|
42
|
February 11, 2026
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PMF for angle rotations
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2
|
746
|
December 19, 2025
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Pull code on a long filament
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|
7
|
111
|
August 12, 2025
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Osmotic pressure simulations using the pull code
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6
|
127
|
August 7, 2025
|
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Query about pullf.xvg plot
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4
|
97
|
July 23, 2025
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Pulling simulations help
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1
|
119
|
June 28, 2025
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Simple Pulling script 1D 1 group
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0
|
36
|
May 17, 2025
|
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LINCS error while performing pull simulations?
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17
|
203
|
March 18, 2025
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Unfolding a 574 aa protein
|
|
0
|
63
|
February 3, 2025
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Simultaneous Pulling of Multiple Protein Segments to Different Target Distances in GROMACS
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4
|
121
|
December 2, 2024
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Pull-force error
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5
|
72
|
November 15, 2024
|
|
Gromacs umbrella sampling error for pull force calculation
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4
|
142
|
October 30, 2024
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Rate and force unit conversion for pulling paramters
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|
1
|
221
|
October 2, 2024
|
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How to understand the output after pulling force is applied?
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11
|
481
|
September 20, 2024
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How to apply constant pull force at two ends of a molecule?
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2
|
250
|
September 10, 2024
|
|
Pull code for a single window
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|
3
|
54
|
August 22, 2024
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Soft/Stiff Spring
|
|
1
|
101
|
August 19, 2024
|
|
Free energy calculation with fixed relative position
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2
|
119
|
August 12, 2024
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Question about absolute reference point/warning for pulling a protein between solvents
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0
|
103
|
July 14, 2024
|
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Another Problem with Distances Between Pull Groups
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|
3
|
850
|
July 14, 2024
|
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Issues with Pulling Protein Through a Pore: High Forces and Restraint Effects
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|
2
|
108
|
July 11, 2024
|
|
COM pulling of large groups:
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|
1
|
447
|
May 6, 2024
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Steered MD doesn't produce expected force graph
|
|
1
|
222
|
April 8, 2024
|
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Assistance Needed with Pulling a Protein Aggregate Through a Protein Pore
|
|
1
|
202
|
April 1, 2024
|
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Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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|
0
|
271
|
March 27, 2024
|
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AWH reaction coordinate
|
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2
|
685
|
February 14, 2024
|
|
Water flow through a nanopore
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|
3
|
583
|
February 2, 2024
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