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How to use the forum
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1
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3752
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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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2019
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April 24, 2020
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Unusual aggregation of gas molecules
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10
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54
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April 30, 2025
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RTX 5070 Not Utilized
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2
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24
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April 30, 2025
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Problems building gromacs with CUDA
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0
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6
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April 29, 2025
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Calibration of correction potential in constant pH GROMACS
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2
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6
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April 29, 2025
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Possible artefacts during trajectory unwrapping using -pbc nojump
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0
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5
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April 29, 2025
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How do we omit the positive/negative strain at zero stress?
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1
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22
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April 29, 2025
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Rotating protein in trajectory
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4
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20
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April 29, 2025
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AMBER force field for copper ions
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2
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1163
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April 29, 2025
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Fixing coordinates of a chain after simulation
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5
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17
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April 29, 2025
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Dear all, This .mdp file below is from an old tutorial. How would it look in the new version?
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1
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17
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April 28, 2025
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Ligand coordinates not matching in solv and topol
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0
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13
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April 26, 2025
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Window spacing in drug pull
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0
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12
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April 26, 2025
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Dihedral_restraints
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0
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6
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April 25, 2025
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Protein-Lipid system, protein keeps flipping or jumping
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2
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21
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April 25, 2025
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GMX dipoles for charged molecules - center of mass?
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3
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78
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April 25, 2025
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Dssp or do_dssp not working
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0
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8
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April 24, 2025
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Gmx dipoles and index groups vs molecules
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0
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15
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April 24, 2025
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Lincs Warning-Alchemical free energy calculations
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0
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14
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April 24, 2025
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Standard library logic error (bug): (exception type: St12out_of_range)
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0
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15
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April 15, 2025
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Why am I getting constant lambda values in constant pH MD for a tripeptide system?
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4
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18
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April 23, 2025
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+++ assertion failed: i>0 serial of an atom cannot be zero
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3
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17
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April 23, 2025
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Subject: LINCS Warnings During Energy Minimization of PSM Bilayer
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1
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18
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April 23, 2025
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Simulations with time step 4 fs using constraints=H-angles
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6
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92
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April 23, 2025
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Simulating tripeptide with D-Amino Acids
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0
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14
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April 23, 2025
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Is an RMSD value above 0.36 nm (apo-form) and 0.4 to 0.5 nm (complex-form) is acceptable?
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0
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9
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April 23, 2025
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Debye Method Implementation
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0
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16
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April 22, 2025
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NVT Equilibration problem with interface system
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8
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48
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April 22, 2025
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Error in docked complex simulation
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1
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30
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April 22, 2025
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