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Using minimum distance for umbrella sampling
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11
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62
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June 5, 2025
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Mismatch Between Pull-Distance reported while TPR Generation and gmx distance Calculation
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1
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21
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April 1, 2025
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Umbrella sampling of drug over whole membrane
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6
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606
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March 26, 2025
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Removing certain windows from Umbrella Sampling changes PMF curve
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1
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830
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February 8, 2025
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Unfolding a 574 aa protein
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0
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34
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February 3, 2025
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Umbrella sampling - what values of force constant and velocity should I use?
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18
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246
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December 18, 2024
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Pull-force error
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5
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31
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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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79
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October 30, 2024
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Umbrella Sampling Histogram wrong window distance
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3
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103
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September 11, 2024
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Umbrella sampling position restraining force
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2
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64
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September 9, 2024
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Error while running a pull in umbrella sampling
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6
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50
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August 20, 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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75
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July 14, 2024
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Problems in PMF curve of AquaporinZ after umbrella sampling
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18
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426
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July 1, 2024
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Pull Code for Umbrella Sampling: Choosing atom as group
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3
|
426
|
June 24, 2024
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Distance restraint on the center of mass distance between 2 monomers in my dimer
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0
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58
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April 25, 2024
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Reorientation of glycoprotein for umbrella sampling and where the imaginary spring is attached
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3
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181
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April 23, 2024
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Strange PMF profile after umbrella sampling of the peptide pulling
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7
|
611
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March 5, 2024
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Hwo to Pull Peptide from the Middle?
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1
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194
|
February 15, 2024
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Pulling simulation for two particles
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2
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322
|
January 15, 2024
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How do you determine the Pull Direction for a GROMACS umbrella sampling simulation to generate the m
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2
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376
|
January 5, 2024
|
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Pulling not run
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3
|
212
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December 20, 2023
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Using gmx_wham for analysis of NAMD-generated umbrella-sampling
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3
|
338
|
November 15, 2023
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Umbrella sampling: starting frame high distance
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0
|
219
|
October 16, 2023
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Question from umbrella sampling
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6
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965
|
October 16, 2023
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How to interpert PMF graph in umbrella sampling?
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0
|
303
|
October 13, 2023
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How can I pull 1 out of several molecules towards bilayer center
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13
|
756
|
September 29, 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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390
|
August 21, 2023
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Calculate diffusion coefficients for umbrella sampling
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3
|
795
|
July 27, 2023
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Constraining two water droplets at constant distance between their COMs using pull code
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33
|
914
|
May 9, 2023
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Finding the center of mass coordinates of a protein!
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0
|
446
|
April 6, 2023
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