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[umbrella sampling] Can I use "pull_coord1_geometry = direction" for complexes with cyclodextrins?
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1
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14
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March 9, 2026
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Velocity generation for each window in umbrella sampling simulations
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2
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17
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March 7, 2026
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[Errors] Problems during Umbrella Sampling
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1
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28
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February 4, 2026
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Umbrella sampling for a protien ligand system
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1
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31
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January 29, 2026
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UMBRELLA SAMPILNG pull reference
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1
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43
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November 19, 2025
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Umbrella Sampling: Dimension of Reaction Coordinate
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1
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60
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October 29, 2025
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Problem in the umbrella histrograms
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5
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107
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September 17, 2025
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Query about pullf.xvg plot
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4
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89
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July 23, 2025
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Using minimum distance for umbrella sampling
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11
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203
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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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44
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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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735
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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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876
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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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56
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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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596
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December 18, 2024
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Pull-force error
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5
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58
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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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133
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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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212
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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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117
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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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89
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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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96
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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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509
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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
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454
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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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66
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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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230
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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
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693
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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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213
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February 15, 2024
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Pulling simulation for two particles
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2
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359
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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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491
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January 5, 2024
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Pulling not run
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3
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232
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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
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400
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November 15, 2023
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