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How to make pull.tpr?
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2
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40
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April 23, 2024
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Extending Simulaton
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2
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53
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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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53
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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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206
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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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80
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March 21, 2024
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Umbrella sampling gromacs problem
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3
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86
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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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65
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March 7, 2024
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HEME-Histidine missing dihedrals
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5
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318
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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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1270
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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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872
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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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681
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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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866
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December 24, 2023
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Error in NPT
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6
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185
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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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99
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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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232
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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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6520
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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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488
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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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1444
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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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470
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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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255
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July 31, 2023
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Atomype SD not found
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1
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152
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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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467
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July 5, 2023
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How to solve No default Improper Dih. types
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0
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247
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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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329
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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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791
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June 11, 2023
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Error while generating tpr files
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10
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379
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May 20, 2023
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PBC correction during Umbrella sampling configuration generation
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2
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205
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May 19, 2023
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Non-Zero Total Charges in Simulation
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0
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289
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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
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565
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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
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320
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April 26, 2023
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