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How to use the forum
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1
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3981
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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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2070
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April 24, 2020
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Gmx filter
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0
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2
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December 11, 2025
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Doubt regarding Gmx hbond analysis
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9
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1977
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December 11, 2025
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Wrapping trajectories in trjconv
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2
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22
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December 10, 2025
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State of native PLUMED interface in GROMACS
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5
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37
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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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28
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December 9, 2025
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Please help me! Low GROMACS performance on RTX 5090
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6
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344
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December 8, 2025
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How can we remove translational motion in a specific group?
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0
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8
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December 8, 2025
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Steered molecular dynamics - umbrella samling
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1
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25
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December 8, 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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27
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December 7, 2025
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Virtual_sites
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13
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128
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December 6, 2025
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PCA and DCCA analysis
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1
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15
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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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2115
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December 6, 2025
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Energy minimization crashes on GPU but not CPU
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2
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9
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December 6, 2025
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Is it possible to extract coordinates from a .cpt file?
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3
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9
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December 5, 2025
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Error parameters for dihedral type 9
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5
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16
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December 5, 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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14
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December 5, 2025
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Regarding usage of -pbc yes while calculating mindist
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0
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5
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December 5, 2025
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Missing files while following the membrane protein tutorial
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6
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700
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December 5, 2025
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Adding KCX residue to residuetypes.dat
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5
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24
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December 5, 2025
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Updating diffusion constant midway through the simulation run
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2
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14
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December 5, 2025
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Error compiling gromacs-2018.8
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5
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999
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December 4, 2025
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PCA and DCCA analysis
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0
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8
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December 4, 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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18
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December 3, 2025
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Complex not centered after editconf + solvate (GROMACS)
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1
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8
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December 3, 2025
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Energy minimization error
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13
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11835
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December 3, 2025
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How to compute the number of hydrogen bonds per molecule in a pure water system: gmx hbond
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1
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233
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December 3, 2025
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electric filed with position restraint
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0
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17
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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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24
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December 3, 2025
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