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Segmentration Fault and to small of a timestep problem from a Amber built system
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17
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178
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February 27, 2024
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High RMSD value but its stable
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2
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215
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February 26, 2024
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Π-π interaction
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1
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84
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February 26, 2024
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The step of Adding ions in an added ion but the step shows No ions to add, will just copy input
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2
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91
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February 24, 2024
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GROMACS performance on 8 cores workstation
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8
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1142
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February 20, 2024
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Help with simulated annealing of a small peptide
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1
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92
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February 20, 2024
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Dumps in protein_lig of RMSD after MD Simulations
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11
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111
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February 17, 2024
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Implausible values in free energy calculations
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4
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197
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February 16, 2024
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Simulating a Protein-Ligand dimer
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6
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261
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February 16, 2024
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Simulation breaks the side chain of some residue gromacs
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4
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182
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February 15, 2024
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Removal of one leaflet causing errors in trajectory
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3
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60
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February 14, 2024
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Wall simulations with GPU
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6
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241
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February 13, 2024
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Mdrun aborts without notification and doesnt produce the expected output
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2
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99
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February 12, 2024
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Flat bottomed position restraints as center of mass position restrains
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1
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127
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February 8, 2024
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Mdrun issue - well known issue but still cant fix it
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4
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128
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February 7, 2024
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No run after gmx mdrun
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10
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242
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February 6, 2024
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Fatal error: number of coordinates in coordinate file does not match topology file
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2
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318
|
February 3, 2024
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Domain Decomposition Error
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2
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296
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February 3, 2024
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Issue of High Potential Energy on Running Minimization
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9
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241
|
February 1, 2024
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Error in user input: Required option was not provided, and the default file 'topol' does not exist
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3
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105
|
February 1, 2024
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hipSYCL Error when running with multiple MPIs
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11
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314
|
January 30, 2024
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Why Fatal error: Unexpected cudaStreamQuery failure happend in gromacs2019?
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27
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719
|
January 30, 2024
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Unevern spikes in RMSD graphs after MD simulations
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5
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486
|
January 29, 2024
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Automatic reduction of energy terms with DD
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1
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81
|
January 29, 2024
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LINCS warning system crash--changing MPI and OpenMP threads helps going further
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4
|
509
|
January 27, 2024
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Poor performance of simulation with Colvars module in GROMACS 2024.1 beta
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12
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194
|
January 26, 2024
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Gromacs: mpirun noticed that process rank 63 with PID 0 on node *** exited on signal 11
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2
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285
|
January 26, 2024
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The system of protein-DNA was unstable and said "Segmentation fault" when i run NPT MD using gromacs
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4
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153
|
January 25, 2024
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My topology file uses atom names for ions, not molecules. I can't see errors?
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1
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115
|
January 25, 2024
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LINCS warning during energy minimizations
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8
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1267
|
January 24, 2024
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