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Question regarding box deform angle limit
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12
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486
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February 21, 2025
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Multidir and continuing simulations using cpt file
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11
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1350
|
February 20, 2025
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Issue with direction-periodic and periodicity during umbrella sampling
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4
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16
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February 17, 2025
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2D system treatment
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2
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304
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February 14, 2025
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LINCS error while performing pull simulations?
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5
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15
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February 12, 2025
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Pull simulations giving LINCS error
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1
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17
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February 11, 2025
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Fatal error: -ter not working, atom C1 not found
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0
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15
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February 10, 2025
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Is it possible to use different forcefields for protein and ligand when running MD simulation?
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0
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8
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February 10, 2025
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Pressure application to separate oil in water through amorphous polymer membrane
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14
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65
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February 8, 2025
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Non-bonded pair interactions error for gromacs-2024.5 but not present in 2018
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3
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60
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February 7, 2025
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How to Confirm if SETTLE Algorithm is Applied in TIP4P Water Model Simulation?
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2
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22
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February 4, 2025
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Unfolding a 574 aa protein
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0
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27
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February 3, 2025
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MD Simulation for protein-ligand complex embedded in membrane
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0
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16
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February 3, 2025
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Membrane Protein ligand simulation
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7
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62
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February 3, 2025
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Unable to generate topology for my ligand
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0
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58
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February 1, 2025
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Dehydrated bilayer simulation
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2
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31
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January 30, 2025
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CHARMM force field parameters for Ru(II)
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0
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32
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January 29, 2025
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Gromacs 2024.2 giving weird result!
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9
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685
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January 29, 2025
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No default U-B Types
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0
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36
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January 16, 2025
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Assistance with “Scattered Bound Ion Issue” in GROMACS Trajectory Extraction
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1
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13
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January 27, 2025
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There are 2 perturbed non-bonded pair interactions beyond the pair-list cutoff
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1
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23
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January 27, 2025
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RMSD value very high
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1
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23
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January 27, 2025
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No default bond, dihedrals, angles
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0
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6
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January 27, 2025
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Running simultaneous jobs in a same machine
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2
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26
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January 26, 2025
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Getting very high RMSD value after 75ns
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4
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39
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January 24, 2025
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Expanded ensemble: Performance impact of perturbing more atoms
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4
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24
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January 23, 2025
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Gmx mdrun on gpu problem
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0
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13
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January 22, 2025
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Strange RMSF Graphs
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5
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36
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January 21, 2025
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GROMACS Randomly Stuck in DGX A100
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6
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39
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January 21, 2025
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Simulation time drastically slows down midway through
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4
|
328
|
January 19, 2025
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