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High pressure in x and y axis in a buble in a nano channel
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1
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8
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January 3, 2026
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Steered MD Simulation using Gromacs
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0
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9
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January 2, 2026
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Colvars' distancePairs to get minimum distance between molecules
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1
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8
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December 30, 2025
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Fatal error: number of coordinates in coordinate file does not match topology file
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6
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1647
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December 28, 2025
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Clarification on gmx select moltype syntax in GROMACS 2025.3
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1
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30
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December 17, 2025
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Adding external gpu force to gromacs result in energy conservation problem
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8
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51
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December 10, 2025
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Steered molecular dynamics - umbrella samling
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1
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33
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December 8, 2025
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Virtual_sites
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13
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151
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December 6, 2025
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'topol' does not exist or is not accessible
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2
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2123
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December 6, 2025
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Illegal memory access error #700 CUDA
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2
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41
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December 3, 2025
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Box explodes using NPT.mdp
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2
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46
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November 26, 2025
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Query regarding making all .mdp files for ionization, equllibration, energy minimization
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2
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34
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November 25, 2025
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Keywords in command line for getting good performance in gromacs
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3
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362
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November 23, 2025
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Query:Reagrding using the multiple nodes's GPU or CPU to run MD production step in gromacs
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4
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53
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November 20, 2025
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Position restraints causing mdrun to stall on step 0
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3
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45
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November 17, 2025
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GROMACS can't find files that are in the working directory
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3
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48
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November 14, 2025
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CUDA error #218
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3
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162
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November 13, 2025
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Segfault with ntmpi >2 with 2 GPUs
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6
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26
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November 12, 2025
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Production MD stop in 23829100 step
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3
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36
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November 11, 2025
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Non-Bonded parameters definition not working
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2
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35
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November 10, 2025
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Using -membed option in gromacs
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5
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255
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November 7, 2025
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Has anyone successfully used GROMACS 2023 with 5070Ti GPUs?
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3
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108
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October 30, 2025
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Topology files with packmol
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6
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691
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October 20, 2025
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Change in Volume Fluctuations / Compressibility for TIP4P/2005 Between GROMACS 2016 and 2024
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6
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58
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October 16, 2025
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GROMACS 2025.3 CUDA 13 RTX 5070 Ti Fails on Simulations
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2
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74
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October 14, 2025
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what should do with zink-protein.pdf to get topology file?
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5
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49
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October 7, 2025
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Requesting for claud computing system for md production
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2
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35
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October 7, 2025
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GROMACS 2019.6 job running very slow (5 ns/day) with GPU SLURM script. How to improve performance?
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1
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69
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October 7, 2025
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Help: RTX 5080 (Blackwell, Compute Capability 12.1) + WSL2 + CUDA 13.0 “No Kernel Image Available”
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2
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194
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October 5, 2025
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How should I choose the box size for nanodisc simulations?
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1
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30
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October 3, 2025
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