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Umbrella Sampling Histogram wrong window distance
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3
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35
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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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26
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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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28
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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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25
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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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309
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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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385
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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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54
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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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145
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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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519
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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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179
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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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295
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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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315
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January 5, 2024
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Umbrella sampling of drug over whole membrane
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5
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412
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December 30, 2023
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Pulling not run
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3
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205
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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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292
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November 15, 2023
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Umbrella sampling: starting frame high distance
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0
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213
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October 16, 2023
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Question from umbrella sampling
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6
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768
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October 16, 2023
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How to interpert PMF graph in umbrella sampling?
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0
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278
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October 13, 2023
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How can I pull 1 out of several molecules towards bilayer center
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13
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556
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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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365
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August 21, 2023
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Calculate diffusion coefficients for umbrella sampling
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3
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710
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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
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887
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May 9, 2023
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Finding the center of mass coordinates of a protein!
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0
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440
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April 6, 2023
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Protein-ligand umbrella sampling binding affinity not matching experimental values
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3
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1073
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February 16, 2023
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Histogram/PMF
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0
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400
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January 16, 2023
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Umbrella sampling of membrane proteins
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0
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249
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January 12, 2023
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Choosing reaction coordinate in steered MD simulation to be a point in space
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2
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351
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November 4, 2022
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Umbrella sampling grompp.cpp error
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2
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653
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September 29, 2022
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Plot profile.xvg
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1
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600
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September 21, 2022
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Unreasonable umbrella potential plot
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2
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1023
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July 5, 2022
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