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How to use the forum
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1
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3456
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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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1950
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April 24, 2020
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Performance Fluctuations and Bonded Interactions on GPU in GROMACS 2024.1
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0
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1
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October 8, 2024
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Gmx wham output error
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2
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11
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October 7, 2024
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CMake Error at /usr/local/share/cmake-3.30/Modules/FetchContent.cmake:1951 (message):
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3
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30
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October 7, 2024
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Cannot run short-ranged nonbonded interactions on a GPU because no GPU is detected 2
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0
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8
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October 7, 2024
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Do we need position restraints for deformation simulations?
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0
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8
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October 7, 2024
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Error: No Default LJ-14 Types When Integrating Small Molecule into GAFF+GLYCAM System
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3
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18
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October 7, 2024
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Inconsistency in user input during MSD calculation in geomacs V.2024?
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1
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5
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October 7, 2024
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Energy Interaction between two groups
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8
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59
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October 7, 2024
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Running an NPT simulation after NVT (domain decomposition error)
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3
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15
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October 7, 2024
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Oscillation period is less than time step in Charmm36ff
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3
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25
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October 7, 2024
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Torsion angle/dihedral angle finding?
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4
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11
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October 7, 2024
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Charmm-feb2021_caps.ff
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0
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6
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October 6, 2024
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How to pull ligand in negative/opposite direction of axis?
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24
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249
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October 5, 2024
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I tried to perform energy minimization using "http://www.mdtutorials.com/gmx/lysozyme/05_EM.html"
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1
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6
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October 5, 2024
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Terminal Residue Handling
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0
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8
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October 5, 2024
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Breaking of the molecular structure after energy minimization
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3
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8
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October 4, 2024
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Problem facing to install gromacs on intel arc a 770 gpu
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6
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22
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October 4, 2024
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Another doubt about covalent bound ligands
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0
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11
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October 4, 2024
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Error due to line in input file longer than 4095 characters
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8
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733
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October 3, 2024
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Making the .ndx file with the exact numbering with the structure file
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5
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24
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October 3, 2024
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Problem in gmx mdrun -deffnm MD step
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3
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20
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October 3, 2024
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Source file: src/gromacs/gmxpreprocess/pdb2gmx.cpp Fatal error Glucid Topology
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8
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8
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October 3, 2024
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Gmx hbond doesn't work?
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3
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22
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October 3, 2024
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ERROR: invoking MPI_ABORT when I run mdp_mpi
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2
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379
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October 3, 2024
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How to make oplsaa.ff .itp files for compounds with charge greater than 2
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2
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15
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October 3, 2024
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No such molecule POP1 error during CG simulation minimization step
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15
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30
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October 2, 2024
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Error Coordinat not matching gromacs
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25
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44
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October 2, 2024
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Difficulty installing
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17
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41
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October 2, 2024
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