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How to use the forum
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1
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4126
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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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2110
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April 24, 2020
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How to solve inconsistent shifts over periodic boundaries in protein-dna run in minimization step?
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11
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3008
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May 17, 2026
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Centering a molecule that crosses periodic boundaries — single-atom trick
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0
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6
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May 16, 2026
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Box changing shape after equilibration
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3
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35
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May 15, 2026
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Gromacs installation on Fugaku ARM (A64FX) Node with Fujitsu MPI
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0
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8
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May 15, 2026
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Water surface tension
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9
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143
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May 15, 2026
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Simulation box size?
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6
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43
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May 14, 2026
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Excluded distance larger than cutoff in ligand with virtual site
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21
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589
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May 13, 2026
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Divalent ion parameterization in GROMACS
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1
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28
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May 13, 2026
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Segmentation fault without further information
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3
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31
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May 13, 2026
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For those who wanna build on Windows with Visual Studio 2026
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0
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25
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May 12, 2026
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Colvars: Error: keyword "customfunction" is not supported
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3
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175
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May 12, 2026
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Details of viscosity estimation (gmx energy -vis)
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6
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1224
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May 11, 2026
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COM motion removal during NVT simulation with electric field
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3
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47
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May 11, 2026
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Mindist usage on multichain systems
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0
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8
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May 11, 2026
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Gmx 2025.4 in Ubuntu 26.04
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3
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50
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May 8, 2026
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Sidechain S square for md data using rotacf
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0
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10
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May 8, 2026
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Order Parmeter S^2 using rotacf
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3
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706
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May 8, 2026
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Duplicates of rows of angles and dihedrals for groups containing Cl
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1
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17
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May 8, 2026
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Error due to line in input file longer than 4095 characters
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9
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1058
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May 7, 2026
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Surface tension calculation of gas-liquid interface
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1
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186
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May 7, 2026
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Make not working during gromacs installation
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3
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308
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May 7, 2026
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Statistical Analysis Method for Peak force and total work in Steered molecular dynamics
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2
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26
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May 6, 2026
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Install workflow with AMD GPU support (Framework 16, Ubuntu 24.04, GPU: AMD Radeon RX 7700S)
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11
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2568
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May 6, 2026
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Post MD analysis of peptide-membrane interaction
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0
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22
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May 6, 2026
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AWH simulation with cylinder pull geometry
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14
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92
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May 6, 2026
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RMSD shoots up
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18
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1775
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May 5, 2026
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Backmapping CG to AA
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0
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18
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May 3, 2026
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Is PBC correction needed before Peak force, total work, RMSD analysis and trajectory visualization?
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1
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22
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May 2, 2026
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