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How to use the forum
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1
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4138
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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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2113
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April 24, 2020
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Is there a way to perform simulations with less standard addatives?
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2
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15
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May 31, 2026
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Force Field-angle
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0
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7
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May 31, 2026
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Calculating the free energy of binding using AWH approach
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8
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99
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May 28, 2026
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Modified dihedral notation
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3
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33
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May 28, 2026
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ForceField for Intrisically disordered protein
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12
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69
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May 27, 2026
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Box changing shape after equilibration
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8
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94
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May 26, 2026
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GROMACS 2026.3-dev on gfx1201 (RX 9070 XT) - Device detection failure
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5
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46
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May 26, 2026
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DCLE diffuse into Bulk solution from membrane after 1.8 ns equilbration in HMMM (Charmm-Gui)
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0
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17
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May 26, 2026
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Possible inconsistency when mixing GROMACS 2023.1 and 2025.x for umbrella sampling workflows
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2
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47
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May 23, 2026
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Shear Viscosity Calculation for Isotropic Molecules
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3
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41
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May 22, 2026
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Protein small molecule simulation
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1
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31
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May 21, 2026
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For those who wanna build on Windows with Visual Studio 2026
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1
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45
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May 20, 2026
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Simulation box size?
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7
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81
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May 19, 2026
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Water surface tension
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12
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169
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May 19, 2026
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Gromacs installation on Fugaku ARM (A64FX) Node with Fujitsu MPI
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8
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43
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May 19, 2026
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Excluded distance larger than cutoff in ligand with virtual site
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22
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606
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May 19, 2026
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COM motion removal during NVT simulation with electric field
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5
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68
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May 19, 2026
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Centering a molecule that crosses periodic boundaries — single-atom trick
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1
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36
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May 18, 2026
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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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3024
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May 17, 2026
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Divalent ion parameterization in GROMACS
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1
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41
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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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42
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May 13, 2026
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Colvars: Error: keyword "customfunction" is not supported
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3
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181
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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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1253
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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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18
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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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63
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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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16
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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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712
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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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23
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May 8, 2026
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