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Steered MD doesn't produce expected force graph
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1
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56
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April 8, 2024
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Assistance Needed with Pulling a Protein Aggregate Through a Protein Pore
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1
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35
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April 1, 2024
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Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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0
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56
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March 27, 2024
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AWH reaction coordinate
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2
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523
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February 14, 2024
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Water flow through a nanopore
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3
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419
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February 2, 2024
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Using AWH for bilayer permeability
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15
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561
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December 21, 2023
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An error occurred in the pull code to implement the methane gas compression process under a certain
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0
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111
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December 8, 2023
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Pulling seven reaction coordinates
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17
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454
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August 22, 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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258
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August 21, 2023
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Pulling with orientation and position constraints on particles
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0
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198
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August 8, 2023
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Pulling a simulated AFM tip on to lipid bilayers
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0
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205
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June 19, 2023
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How to put constraints on MARTINI beads
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0
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232
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June 19, 2023
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Pull code distance restraint
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2
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445
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June 7, 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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708
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May 9, 2023
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Pull_f and Pull_X graphs showing sharp peaks
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2
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230
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April 18, 2023
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Another Problem with Distances Between Pull Groups
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2
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298
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April 13, 2023
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How to apply pulling force in one helix of a single chain globular protein to perform SMD?
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10
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772
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March 24, 2023
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Pull code error in Gromacs version 2019.6
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6
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2214
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November 22, 2022
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Negative force from pulling simulation
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5
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554
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November 16, 2022
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Steered MD simulation of ligand through membrane protein
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2
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669
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February 25, 2022
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How to get the velocity of the COM of a pulling group?
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6
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758
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February 22, 2022
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How to pull a molecule across the bilayer?
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5
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1251
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January 25, 2022
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Steered MD pulling rate does not result in desired final pulling distance
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2
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486
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November 22, 2021
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Pulling a ligand out of the active site of a protein for PMF analysis
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3
|
447
|
October 22, 2021
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How would you avoid the case that an SMD stops if d > L/2?
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5
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435
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September 18, 2021
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When pulling a group of a simulation system, how does each atom feel the pulling force?
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2
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1261
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September 15, 2021
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Constant-force vs constant velocity
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0
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430
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September 12, 2021
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How to pull a molecule across a bilayer with fixed boundaries?
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14
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1203
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June 25, 2021
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Pull Code operation
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0
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359
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April 30, 2021
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PMF for angle rotations
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1
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541
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March 29, 2021
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