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How to use the forum
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1
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3817
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October 28, 2020
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About the User discussions category
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0
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2030
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April 24, 2020
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Tip3p.gro download
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4
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8
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June 17, 2025
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Prepare HEME topology
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5
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512
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June 17, 2025
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74% GPU utilization and 2/3 power usage on WSL2
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0
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3
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June 17, 2025
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Water surface tension
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7
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37
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June 16, 2025
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There are inconsistent shifts over periodic boundaries in a molecule type
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14
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43
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June 16, 2025
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Force field for MoS2
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0
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10
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June 15, 2025
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Unexpected geometry change when combing `freezegrps` with `constraints` and running MD
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4
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20
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June 14, 2025
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Backmapping from coarse grain to all atom
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0
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8
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June 13, 2025
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Reimaging GPCR trajectory
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2
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8
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June 13, 2025
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System is distroted on applying dc electric filed
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13
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56
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June 13, 2025
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During Energy minimization error "Listed nonbonded interaction between particles 4778 and 4797 at d"
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0
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6
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June 13, 2025
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Installation of gromacs w/ CUDA & MPI
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2
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1299
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June 13, 2025
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cuFFTMp + MPI with GROMACS 2025.2 on NVIDIA DGXA100
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0
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12
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June 12, 2025
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Workflow for incorporating a modified residue into a protein through CHARMM-GUI
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0
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6
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June 12, 2025
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Box re-sizing After running the md simulation
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5
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20
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June 12, 2025
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Illegal memory access
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2
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15
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June 12, 2025
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Exact control over kinetic energy by manual velocity setting
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0
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6
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June 12, 2025
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How to write the trajectory file using center of mass of each molecule?
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2
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13
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June 12, 2025
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Gromacs could find the Adaptivecpp/hipSYCL compiler
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2
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8
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June 12, 2025
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Choose proper awh1-dim1-force-constant and -diffusion in AWH
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6
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39
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June 11, 2025
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Ligand atoms miss matched after extract from protein ligand complex
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0
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9
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June 11, 2025
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Degrees of freedom
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3
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27
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June 11, 2025
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Discrepancy in Tripeptide Aggregation Behavior Between GROMACS 2020.1 and 2023.3
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4
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30
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June 10, 2025
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Semi-automated force field conversion within Gromacs: Looking for test systems/ beta testers
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0
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24
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June 9, 2025
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Requirement of Gallium phosphide(GaP) forcefield prameters for MD calculation
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0
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15
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June 8, 2025
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RMSF values are different for same residues, same trajectory
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0
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10
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June 6, 2025
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Gromacs-CP2K interface discrepancy
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0
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11
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June 6, 2025
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How to Apply Flat-Bottom Potential to a Specific Chloride Ion During Umbrella Sampling
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0
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13
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June 6, 2025
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