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Segmentation fault in polymer salt and water system
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1
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65
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June 22, 2024
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Preprocessor and machine-dependency
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2
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38
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June 19, 2024
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No default Bond types, U-B types
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0
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72
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June 15, 2024
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Using Andersen-massive returns "Andersen temperature control does not work with constraints"
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1
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124
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June 14, 2024
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Segmentation falult (core dumped
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7
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446
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June 5, 2024
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Fatal error: There were 2 errors in input file(s) during ionization by using grompp module
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1
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110
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May 31, 2024
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MD analysis for apo-protein is going wrong
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1
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117
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May 22, 2024
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Atomtype OW not found during grompp em
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2
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392
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May 10, 2024
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Program: gmx pdb2gmx, version 2021.4-Ubuntu-2021.4-2 Source file: src/gromacs/gmxpreprocess/resa
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4
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211
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April 30, 2024
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How to make pull.tpr?
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2
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87
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April 23, 2024
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Extending Simulaton
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2
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203
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April 23, 2024
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Error in generating .tpr file
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8
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251
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April 21, 2024
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Gmx grompp crashes with a very simple system
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7
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354
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April 11, 2024
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Syntax error - File forcefield.itp, line 18
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1
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263
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March 21, 2024
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Umbrella sampling gromacs problem
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3
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172
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March 18, 2024
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Parameterization of an adenylylated tyrosine residue in CHARMM36
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0
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145
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March 7, 2024
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HEME-Histidine missing dihedrals
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5
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541
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January 29, 2024
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LINCS warning during energy minimizations
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8
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2144
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January 24, 2024
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Non converging Fmax in energy minimization
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4
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1145
|
January 23, 2024
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Duplicate atom index (1) in virtual_sites3 error when running command "gmx grompp -f ions.mdp "
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3
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818
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December 26, 2023
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Simulation Breaks the system (separates both the chains of the Antibody)
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10
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1235
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December 24, 2023
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Error in NPT
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6
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397
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November 9, 2023
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Parameters from old trajectory using cpt file
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0
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141
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November 6, 2023
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Membrane box distorted after removing pbc
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2
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431
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November 6, 2023
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Fatal Error: Too many warnings (1) Use -maxwarn option in gromacs 2023.2
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2
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1057
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October 8, 2023
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Simulating a simple liquid with GROMACS
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6
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1824
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August 28, 2023
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How can I solve the problem: No default Proper Dih. types
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5
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573
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August 2, 2023
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'No default U-B types', 'No default Proper Dih. types', 'System has non-zero total charge:10.000000'
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0
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404
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July 31, 2023
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Atomype SD not found
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1
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192
|
June 25, 2023
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GROMOS54a7 ff leads to missing parameters in topology after S-S-bonds between Cys residues were app
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1
|
690
|
July 5, 2023
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