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Lincs Warning in SFE calculations
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0
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15
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April 25, 2024
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Extending Simulaton
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2
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51
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April 23, 2024
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Computational Electrophysiology Setup with GROMACS (.mdp file)
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1
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37
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April 23, 2024
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Error in generating .tpr file
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8
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50
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April 21, 2024
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PBC = xy slow performance
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0
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28
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April 21, 2024
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PBC = xy with pressure coupling gives erroneous results
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2
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50
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April 20, 2024
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Pressure scaling more than 1% in production
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6
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84
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April 18, 2024
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MD simulation of a bridging His coordinated to two ZN atoms
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4
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52
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April 18, 2024
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Error while using position restarints in MD run
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15
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49
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April 16, 2024
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Vacuum Simulations in GROMACS 2020+
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4
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290
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April 11, 2024
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Incorrect relative solvation free energy values using single topology alchemical transformation
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0
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34
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April 11, 2024
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Unknown left-hand 'mass-repartitioning-factor' in parameter file
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2
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41
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April 11, 2024
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Whether periodic molecules = yes leads to visualisation of a polymer structure in simulations
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8
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99
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April 4, 2024
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Unable to understand the wall setting clearly
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0
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58
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April 2, 2024
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Abnormally Large 2nd Moment of Acceleration Values (<U^2> = <F^2>/M^2)
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0
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31
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April 1, 2024
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About the direction of the electric field added to the box
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0
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83
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March 29, 2024
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Setting pull_coord1_geometry = distance vs pull_coord1_geometry = direction
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0
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58
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March 27, 2024
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How to perform MD simulation on boron nitride nanosheet on GROMACS using charmm force field
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2
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435
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March 22, 2024
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Gromacs Gold Surface restraints/freezegrps
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8
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577
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March 22, 2024
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Perturbed non-bonded pair interaction beyond the pair list cutoff
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12
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2056
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March 20, 2024
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Lipid self-asssembly artifacts due to single axis elongation
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1
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79
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March 20, 2024
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Position restraint out of bonds
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3
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72
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March 20, 2024
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Calculating the system temperature from the velocity information from .gro file
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4
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92
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March 15, 2024
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How to perform a triplicate molecular dynamics simulation?
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1
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81
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March 12, 2024
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Why do the results of NPT dynamics change so much with the heating rate?
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11
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89
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March 11, 2024
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Blow up during NPT equilibration using Berendsen barostat
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3
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122
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March 6, 2024
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CG-CD1 TRP bond oscillational less than 0.004 fs
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1
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86
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March 6, 2024
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Segmentation fault -error
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2
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123
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March 4, 2024
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Gmx_MMPBSA binding energy
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6
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183
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February 29, 2024
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Tensile test on polymer box
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1
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88
|
February 21, 2024
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