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How to use the forum
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1
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3890
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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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2046
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April 24, 2020
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Rigid TIP4P energy and force computations
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0
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1
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September 2, 2025
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How do I correctly re-wrap DCLE tail-solvent and lipids in an HMMM trajectory?
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1
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13
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September 1, 2025
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Membrane artefacts when pulling membrane proteins together using Martini forcefield
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0
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9
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September 1, 2025
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Drastic Difference in binding energy, rdf if NPT only with restraints and avg pressure near 1 bar?
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2
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17
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September 1, 2025
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Error in computing the lateral diffusion in gromacs from tutorial2
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0
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4
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September 1, 2025
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Protein-ligand-membrane simulation
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0
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14
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August 31, 2025
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Density plot of ionic liquid
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0
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16
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August 31, 2025
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Ionic liquid
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0
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8
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August 29, 2025
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Drude coordinate and topology files
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0
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6
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August 29, 2025
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GROMACS hanging on remote execution with Snakemake
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0
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8
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August 29, 2025
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PTX JIT compilation failed on 5070Ti with GROMACS 2025
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1
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68
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August 29, 2025
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Filed regression in GROMACS 2025.1
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6
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66
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August 29, 2025
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Uniaxial Elongation to get tensile stress vs. tensile strain curve
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7
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29
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August 29, 2025
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Gromacs patched with Libtorch
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1
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23
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August 29, 2025
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Hydration energy calculation
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1
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19
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August 29, 2025
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How to fix negative pressure?
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9
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1322
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August 28, 2025
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How to generate topology and .itp files for succinic acid and Zn²⁺ in GROMACS using OPLS-AA?
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0
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9
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August 28, 2025
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SAM co-factor with CHARMM force field for GROMACS silmualtion
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5
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89
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August 28, 2025
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NPT parameter
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0
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13
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August 27, 2025
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Gromacs 2025.2 installation with CUDA 12.8
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4
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43
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August 27, 2025
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Nvcc error when running CMake
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2
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35
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August 27, 2025
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Installation error GLOG?
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2
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55
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August 26, 2025
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Unexplained calculation stalling during density fit
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2
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25
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August 25, 2025
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GROMACS not recognizing a PDB atom entry
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0
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8
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August 25, 2025
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Protein ns MD simulation and other times recommended inquiry?
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2
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35
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August 23, 2025
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Water quantity in simulation box
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0
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15
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August 22, 2025
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Simulation won’t fully run pair searching
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3
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296
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August 21, 2025
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Simulation won't fully run pair searching
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3
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177
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August 21, 2025
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