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Pressure application to separate oil in water through amorphous polymer membrane
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2
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6
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December 21, 2024
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Gromacs install with conda but can't run on GPU
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12
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24
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December 21, 2024
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Invalid pointer error during production run
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1
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7
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December 19, 2024
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Error in residue topology database
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1
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12
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December 19, 2024
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NVE simulation kinetic and total energy gradually increasing
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12
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169
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December 18, 2024
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Compatibility between single precision and double precision
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3
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14
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December 17, 2024
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Benchmarking GROMACS 2023 using STMV - PME rank outside cutoff of domain decomposition
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1
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20
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December 16, 2024
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Implemetation of Nose-Hoover Langevin piston pressure control in Gromacs
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1
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12
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December 16, 2024
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Regarding my protein-dna complex molecular dynamics error
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2
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10
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December 16, 2024
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Issues with MD Run and Fe Displacement in Hemoglobin Simulation
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4
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38
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December 13, 2024
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Gpu update giving error with protein ligand complex
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9
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1359
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December 12, 2024
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Equivalent Thermostat to Langevin in GROMACS for MD Simulations
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2
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19
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December 12, 2024
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Timer documentation
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3
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15
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December 12, 2024
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When I run MD for a protein which contain 2 chains, I am getting high RMSD and it is drifting apart
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0
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10
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December 11, 2024
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Error in solvation step using OPLS FF
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0
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12
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December 11, 2024
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Why cannot call amd graphics card gpu
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0
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12
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December 11, 2024
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Gromacs setup
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0
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17
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December 10, 2024
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Not writing to output file for long simulation
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2
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421
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December 10, 2024
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Fatal error: number of coordinates in coordinate file does not match topology file
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4
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932
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December 9, 2024
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Abrupt temperature change during heating
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4
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22
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December 9, 2024
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Segmentation fault during production run
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6
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48
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December 8, 2024
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Error in running CG commands
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1
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17
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December 6, 2024
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Error about umbrella sampling(pulling simulation)
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1
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14
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December 5, 2024
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Error in Restraining the Ligand
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4
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13
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December 4, 2024
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Error in topol.top and sol.gro files
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3
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24
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December 3, 2024
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Atom Type Error in Gromacs
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0
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10
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December 3, 2024
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How to consume 100% gpu
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1
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22
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December 2, 2024
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Distorted crystal after EM
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0
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8
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December 2, 2024
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Membrane Protein ligand simulation
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0
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13
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December 2, 2024
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Lipid membrane energy minimization error
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0
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11
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December 1, 2024
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