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GROMACS 2026 release candidate
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0
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42
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December 17, 2025
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State of native PLUMED interface in GROMACS
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5
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61
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December 10, 2025
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Unexpected “empty spaces” / low local density after NVT equilibration despite successful EM - Is thi
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8
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35
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December 9, 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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43
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December 10, 2025
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Fourierspacing
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4
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45
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December 16, 2025
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GROMACS 2025.3 + Plumed +GPU + MPI
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2
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54
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November 24, 2025
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Wrapping trajectories in trjconv
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5
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43
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December 15, 2025
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Large differences in gmx mindist values with and without PBC correction
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5
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27
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November 25, 2025
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Free energy peturbation mdp file settings for solvation free energy calculation
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3
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41
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December 3, 2025
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Gmx filter
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8
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40
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December 17, 2025
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Illegal memory access error #700 CUDA
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2
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38
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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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40
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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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29
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November 25, 2025
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How can we remove translational motion in a specific group?
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1
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39
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December 16, 2025
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CUDA compilation error (WSL2 - Ubuntu 24.04, GeForce RTX 3050 Laptop GPU )
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5
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32
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December 7, 2025
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December 10th bi-weekly GROMACS developer meeting - evening edition
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2
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39
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December 10, 2025
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Adding KCX residue to residuetypes.dat
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5
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30
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December 5, 2025
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BAD RMSD, help is needed
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1
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34
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November 25, 2025
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Issue with Replica Index Mismatch During Demultiplexing in REST2 Simulations
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1
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28
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December 16, 2025
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How to add terminal caps in AMBER with GROMACS
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1
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30
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December 3, 2025
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Steered molecular dynamics - umbrella samling
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1
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28
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December 8, 2025
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Unusal barostat instability when using rocm-heffte that is not present when using vkfft
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1
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21
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December 16, 2025
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INSANE not compatible with martini3 GM3?
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1
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31
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December 1, 2025
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Gromacs file and analysis modification
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2
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19
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November 25, 2025
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Is it possible to extract coordinates from a .cpt file?
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4
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17
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December 15, 2025
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Error parameters for dihedral type 9
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5
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17
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December 5, 2025
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Fatal error: No line with moleculetype 'SOL' found the [ molecules ] section of file 'complex.top'
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2
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21
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November 29, 2025
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RNA simulation error solution, especially during topology and em.tpr generation
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1
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19
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December 3, 2025
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Compiling 25.4 using CUDA13 on 5090
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1
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26
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December 3, 2025
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Recommended way to thermostat a system where one covalently-bound component is fully restrained
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2
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19
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December 5, 2025
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Error in gmx hbond for parameter -hbm
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2
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14
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November 26, 2025
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PCA and DCCA analysis
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1
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18
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December 6, 2025
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Updating diffusion constant midway through the simulation run
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2
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15
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December 5, 2025
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Unphysical Behavior of Contact Autocorrelation Function for Mobile–Fixed Pairs in GROMACS?
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0
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19
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December 16, 2025
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Rmsf in gromacs
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1
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17
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December 1, 2025
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Gmx chi Alanine residues output
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1
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16
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November 30, 2025
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Energy minimization crashes on GPU but not CPU
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2
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12
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December 6, 2025
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Complex not centered after editconf + solvate (GROMACS)
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1
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11
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December 3, 2025
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Simulating a Reverse Transcriptase complex with RNA, DNA
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1
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14
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December 1, 2025
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Ligand mlecule containing boron atom
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0
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8
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December 18, 2025
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electric filed with position restraint
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0
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20
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December 3, 2025
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Regarding usage of -pbc yes while calculating mindist
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0
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7
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December 5, 2025
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PCA and DCCA analysis
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0
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9
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December 4, 2025
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