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Molecule type 'Protein_chain_A' contains no atoms
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1
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42
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June 2, 2025
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Need help minimising a backmapped system (I used backward method)
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0
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14
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May 12, 2025
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Number of coordinates did not match in coordinated file with the topology file
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24
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9718
|
May 1, 2025
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No default bond types, rykaert bell types and more
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1
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21
|
March 24, 2025
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No default Position Rest. graphene sheet
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0
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25
|
March 16, 2025
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[MD Simulation Error] Fatal PME Rank Issue: Particles Moving Out of Domain Decomposition Cell
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2
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52
|
March 4, 2025
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The largest distance between excluded atoms is 1.725 nm, which is larger than the cut-off distance
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17
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6930
|
February 5, 2025
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"No default Bond types" error during grompp for specbond.dat bonds
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0
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22
|
January 29, 2025
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No default U-B Types
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0
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82
|
January 16, 2025
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Warning: atom name in .top and .gro does not match
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2
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144
|
January 23, 2025
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Invalid order for directive atomtypes (error)
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17
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8998
|
January 13, 2025
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No default improper dihedral types in Amber ff14sb-OL21 for DNA simulations
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2
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117
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December 22, 2024
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Error: Topol.top file doesn`t match solv.gro file
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1
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68
|
December 18, 2024
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Issues with MD Run and Fe Displacement in Hemoglobin Simulation
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4
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94
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December 13, 2024
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ERROR 164 [file topol.top, line 100195]: No default Ryckaert-Bell. types
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3
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66
|
November 29, 2024
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Energy minimization error sc-r-power = 48 not supported
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4
|
696
|
November 18, 2024
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Ligand MD simulation
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2
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55
|
November 8, 2024
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Grompp errors with v2024.3: The drift estimate should be a finite value
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5
|
40
|
October 30, 2024
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Fatal error: Syntax error - File ffnonbonded.itp, line 5 Last line read: '[ atomtypes ]' Invalid ord
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5
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100
|
October 29, 2024
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Reading double precision coordinate data with grompp
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7
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38
|
October 25, 2024
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Velocity distribution and
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0
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25
|
October 15, 2024
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Error in using the soft core minimization
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4
|
217
|
September 24, 2024
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Largest distance between excluded atoms error even though atoms are bonded
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0
|
175
|
September 11, 2024
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Check the Forcefield of the electrolyte system EC DEC DMC
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1
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50
|
September 9, 2024
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Error in NPT Equilibration for Protein Ligand Complex MD Tutorial
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3
|
326
|
August 28, 2024
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For two ligand and a complex molecular dynamics simulation in GROMACS
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2
|
92
|
August 15, 2024
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Dihedral bonds disappearing/ignored during GROMPP step
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10
|
50
|
August 14, 2024
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Another Problem with Distances Between Pull Groups
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3
|
712
|
July 14, 2024
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Grommp error
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1
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35
|
July 9, 2024
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Segmentation Fault, Error during `gmx grompp`
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1
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1042
|
July 5, 2024
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