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Osmotic pressure simulations using the pull code
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3
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9
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July 17, 2025
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How to read in an xyz vector from the .mdp file
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0
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4
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July 17, 2025
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Building GROMACS with CP2K, with CUDA Support, Single and double precision in FFTW
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0
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4
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July 17, 2025
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How to create topology file for amorphous silica?
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1
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7
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July 17, 2025
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Using -membed option in gromacs
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2
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31
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July 17, 2025
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After Equilibriation Still Protein is visible slightly outside box
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1
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11
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July 17, 2025
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Install workflow with AMD GPU support (Framework 16, Ubuntu 24.04, GPU: AMD Radeon RX 7700S)
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10
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1126
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July 16, 2025
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Looking for RAM-intensive GROMACS benchmark/input files
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1
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12
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July 16, 2025
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High RMSD of a multi-domain protein
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1
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23
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July 16, 2025
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RMSD presentation
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1
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22
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July 16, 2025
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Pdb2gmx: -ter option doesn't work
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1
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26
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July 16, 2025
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Free Energy Calculation of Tryptophan
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0
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6
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July 16, 2025
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Equilibration of new lipid model
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0
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7
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July 16, 2025
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Error in topology conversion from CGenFF
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1
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17
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July 15, 2025
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How to create restrained file for sol
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0
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4
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July 15, 2025
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Number of digits in rdf data
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0
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4
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July 14, 2025
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How to solve the gaps in Charmm27 forcefield for RNA molecules?
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0
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6
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July 14, 2025
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Generation of .itp files for small molecules for OPLS and AMBER force fields in the GROMACS package
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1
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21
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July 14, 2025
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Residue not found in residue topology database
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1
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10
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July 14, 2025
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Hbond calculation
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3
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826
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July 14, 2025
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Problems installing gromacs 2025.2 on AMD 9070XT GPU with HIP
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16
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120
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July 14, 2025
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Fatal User Error 1002: '#pragma omp single' improperly nested in a work-sharing construct
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1
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17
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July 11, 2025
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RMSD result presentation
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3
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57
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July 10, 2025
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International Autumn School on CP2K-GROMACS for Multiscale Atomistic Simulation (Sept 29 - Oct 1, 20
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0
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7
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July 10, 2025
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Membrane Protein ligand simulation
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11
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196
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July 10, 2025
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Removing water molecules from tpr file while conserving correct protein chain assignment
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2
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36
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July 9, 2025
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PTX JIT compilation failed on 5070Ti with GROMACS 2025
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0
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23
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July 9, 2025
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Is It Correct to Increase Ligand Position Restraint to 1000 kJ/mol/nm² in CHARMM-GUI Equilibration?
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0
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13
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July 9, 2025
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How to use gmx hbond to analyze hydrogen bond between two chains of a homodimer?
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4
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1060
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July 9, 2025
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Running gmx_mpi mdrun on a local workstation to perform REMD returns an "Invalid MIT-MAGIC-COOKIE-1"
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3
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397
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July 8, 2025
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