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Ligand mlecule containing boron atom
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1
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32
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February 10, 2026
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Proteolytic cleavage of aggregate protein by enzyme
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3
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33
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February 9, 2026
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Pdb2gmx fails to recognize OXT in terminal valine
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1
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33
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February 7, 2026
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Workstation options
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1
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25
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February 5, 2026
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How to build Ligand topology
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2
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59
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February 4, 2026
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no default bond types, angle types or dihedral types
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1
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22
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February 4, 2026
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PBC issues when simulating multimeric assembly
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1
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30
|
February 4, 2026
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Instantaneous positional shifts of protein trajectory
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1
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15
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February 4, 2026
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PBC centering Issue
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1
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30
|
February 4, 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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Your Review on AMBER19sb MD in GROMACS2026
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1
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68
|
February 4, 2026
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The contradiction between the mdp settings and the real pull rate
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13
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40
|
February 4, 2026
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Simulated annealing of protein-DNA complex
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0
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31
|
February 3, 2026
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SAM co-factor with CHARMM force field for GROMACS silmualtion
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10
|
240
|
February 3, 2026
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Gmx filter
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26
|
212
|
February 2, 2026
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Why not protein is not come in the selection
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1
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10
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January 31, 2026
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Question about how LINCS calculates stress
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5
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48
|
January 30, 2026
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Umbrella sampling for a protien ligand system
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1
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31
|
January 29, 2026
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Error problem
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1
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17
|
January 29, 2026
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Absolute FEP result too high
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2
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34
|
January 29, 2026
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MPI error when using ensemble-averaged distance restraints and set GMX_DISRE_ENSEMBLE_SIZE
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10
|
67
|
January 27, 2026
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Is is good to simulate lipid bilayer with NVE ensemble
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0
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24
|
January 26, 2026
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Pdb2gmx handling altlocs
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1
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12
|
January 26, 2026
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Struggling to replicate free energy calculations in pmx tutorial using FEP
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0
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38
|
January 26, 2026
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How to add hydrogen atoms to the complex with correct coordinates?
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2
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22
|
January 23, 2026
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Free energy verification by thermodynamic integration in liquid solutions
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0
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18
|
January 22, 2026
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Segmentation faults / ‘core dumped’ errors
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12
|
62
|
January 22, 2026
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The output average of gmx energy differs from the average of the data stored in .xvg
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3
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15
|
January 22, 2026
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DSSP stuck
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0
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12
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January 22, 2026
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Tabulated nonbonded potentials in GROMACS 2026
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1
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24
|
January 21, 2026
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