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Extending Simulaton
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1
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17
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April 19, 2024
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Error in generating .tpr file
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7
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26
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April 18, 2024
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Gmx grompp crashes with a very simple system
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7
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200
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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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67
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March 21, 2024
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Umbrella sampling gromacs problem
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3
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79
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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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60
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March 7, 2024
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HEME-Histidine missing dihedrals
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5
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314
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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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1244
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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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862
|
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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673
|
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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855
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December 24, 2023
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Error in NPT
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6
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179
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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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98
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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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224
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November 6, 2023
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Number of coordinates did not match in coordinated file with the topology file
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17
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6430
|
October 12, 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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474
|
October 8, 2023
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Simulating a simple liquid with GROMACS
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6
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1431
|
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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462
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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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252
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July 31, 2023
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Atomype SD not found
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1
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151
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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
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455
|
July 5, 2023
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How to solve No default Improper Dih. types
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0
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238
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June 23, 2023
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Atomtype hn was defined previously (e.g. in the forcefield files), and has now been defined again
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1
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319
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June 22, 2023
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Mis match bwtween the topol.top and solv.gro file
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14
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781
|
June 11, 2023
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Error while generating tpr files
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10
|
375
|
May 20, 2023
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PBC correction during Umbrella sampling configuration generation
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2
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202
|
May 19, 2023
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Non-Zero Total Charges in Simulation
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0
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282
|
May 15, 2023
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Chimera error "unexpected end of file" caused by .tpr files generated by 2020 and 2021 versions
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2
|
560
|
May 9, 2023
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Error with "gmx grompp -f minim.mdp -c dmpc_npat.pdb -p topol_dmpc.top -o dmpc.tpr" command
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4
|
312
|
April 26, 2023
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Restoring velocity in a simulation
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1
|
226
|
April 25, 2023
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