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Estimating diffusion constant for AWH simulation
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1
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33
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January 28, 2025
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Analysis of AWH simulations
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2
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78
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November 18, 2024
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Advice needed: AWH and Pull code debugging
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9
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168
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September 24, 2024
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AWH Sampling
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2
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70
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September 16, 2024
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Combined analysis of independent AWH runs
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6
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51
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September 11, 2024
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Multi-walker awh simulation using one gpu
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2
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97
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August 27, 2024
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AWH reaction coordinate
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2
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634
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February 14, 2024
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Using AWH for bilayer permeability
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15
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947
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December 21, 2023
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AWH very large free energy barriers
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13
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349
|
December 18, 2023
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How to set awh1-dim1-diffusion and awh1-error-init properly
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4
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313
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December 12, 2023
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PMF of a small molecule across a slab that has vapor-liquid interface
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1
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376
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August 21, 2023
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AWH assertion failed error
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3
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374
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July 25, 2023
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AWH and PMF convergence
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10
|
616
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March 10, 2023
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Transformation pull co-ordinate dihedral maths is odd
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7
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512
|
February 1, 2023
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Memory issue with 2D AWH and angle
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12
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447
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January 10, 2023
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AWH Sampling across periodic boundaries
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3
|
395
|
September 28, 2022
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Convergence for awh
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3
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632
|
June 8, 2022
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Standard error on AWH free energy estimate?
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6
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558
|
June 7, 2022
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AWH FEP mdp options
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5
|
1353
|
September 3, 2021
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AWH with user data
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1
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657
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August 17, 2021
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AWH and pull code
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2
|
741
|
August 17, 2021
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AWH accelerated sampling
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6
|
1177
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August 17, 2021
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Multidimensional AWH
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4
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1044
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August 17, 2021
|
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COM pull force and AWH
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|
7
|
603
|
June 14, 2021
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