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Pressure application to separate oil in water through amorphous polymer membrane
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14
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61
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February 8, 2025
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H-bond constraint
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4
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2006
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February 6, 2025
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Unfolding a 574 aa protein
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0
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21
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February 3, 2025
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CHARMM force field parameters for Ru(II)
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0
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30
|
January 29, 2025
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Simulating pulling a small solute across a lipid bilayer
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7
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24
|
January 28, 2025
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Brownian Dynamics (friction coefficient vs tau_t)
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1
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21
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January 28, 2025
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NPT steps warnings
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0
|
19
|
January 22, 2025
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Continuation in mdp file for umbrella sampling
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2
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27
|
January 21, 2025
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Constraints Option with Flat-Bottom Position Restraints in mdp file
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2
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13
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January 20, 2025
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Questions About CHARMM36 Parameters for DNA Systems
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2
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31
|
January 17, 2025
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Nanoparticle getting disintegrated in MD production after simulated annealing
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0
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18
|
January 17, 2025
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Default value of gen-vel option in gromacs MDP file
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5
|
238
|
January 17, 2025
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Estimated Oscillation Time period less than timestep
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4
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28
|
January 15, 2025
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Missing define in .mdp Extracted from .tpr and Restraint Confirmation
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4
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17
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January 10, 2025
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Tau values for equilibration
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3
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28
|
January 9, 2025
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Equilibrating for 10 fs - mdp file
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3
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17
|
January 7, 2025
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NVT simulation and mdp file
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2
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30
|
January 7, 2025
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Stability for long NVE run
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2
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16
|
January 6, 2025
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Custom exclusion of only coulomb interaction
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2
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21
|
January 5, 2025
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MD simulation of Docked structures
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2
|
72
|
December 30, 2024
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The final step in the tutorial on protein and ligand binding
|
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0
|
10
|
December 24, 2024
|
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1-4 interactions not tallying
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0
|
8
|
December 20, 2024
|
|
Should I use two T-coupling groups for ice+graphene?
|
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9
|
24
|
December 20, 2024
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Drift of the system in the periodic box during simulations
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2
|
30
|
December 17, 2024
|
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Benchmarking GROMACS 2023 using STMV - PME rank outside cutoff of domain decomposition
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1
|
34
|
December 16, 2024
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Implemetation of Nose-Hoover Langevin piston pressure control in Gromacs
|
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1
|
22
|
December 16, 2024
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Equivalent Thermostat to Langevin in GROMACS for MD Simulations
|
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2
|
35
|
December 12, 2024
|
|
Error in running CG commands
|
|
1
|
19
|
December 6, 2024
|
|
Error about umbrella sampling(pulling simulation)
|
|
1
|
22
|
December 5, 2024
|
|
Atom Type Error in Gromacs
|
|
0
|
12
|
December 3, 2024
|