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Pull code on a long filament
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7
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53
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August 12, 2025
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Mdrun log file error Large VCM(group MEMB)
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1
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16
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August 11, 2025
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Computing codes of GROMACS for free
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4
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74
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August 3, 2025
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Minimization of a membrane-peptide complex
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0
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14
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August 2, 2025
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Protein come out of the box but trjconv command didn't fix the problem
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10
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4175
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August 2, 2025
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I cannot follow the martini tutorial Parametrization of a new small molecule
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11
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346
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July 31, 2025
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Problem with gromacs script generetated with charmm-gui
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3
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28
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July 30, 2025
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Distance restrained in my protein amino acids with Zn ion present in it
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0
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9
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July 30, 2025
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High LJ (SR) in graphene sheet minimization
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0
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9
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July 28, 2025
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Pressure Scaling more than 1% and volume fluctuations
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1
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41
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July 25, 2025
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Using -membed option in gromacs
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3
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76
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July 25, 2025
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Query about pullf.xvg plot
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4
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38
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July 23, 2025
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Homocysteine covalently bonded with a protein MD simulation how to perform
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0
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28
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July 21, 2025
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How to create restrained file for sol
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0
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18
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July 15, 2025
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Membrane Protein ligand simulation
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11
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253
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July 10, 2025
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Restraining Solvent Molecules Under an Ice Slab
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0
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26
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July 6, 2025
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Segmentration Fault and to small of a timestep problem from a Amber built system
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19
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556
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November 11, 2024
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How to simulate the specific residues by mentioning their position in the sequence?
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0
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16
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July 3, 2025
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74% GPU utilization and 2/3 power usage on WSL2
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1
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34
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July 2, 2025
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Simulation with a 3 fs timestep
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0
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29
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June 30, 2025
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During Energy minimization error "Listed nonbonded interaction between particles 4778 and 4797 at d"
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1
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23
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June 28, 2025
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LINCS Warning or Freeze Behavior Depends on GROMACS Version
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0
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19
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June 20, 2025
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Unexpected geometry change when combing `freezegrps` with `constraints` and running MD
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6
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41
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June 19, 2025
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Membrane protein simulation
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1
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24
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June 18, 2025
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GROMACS cant detect GPU (AMD)
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7
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151
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May 27, 2025
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Unusual RMSD of ligand-protein
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6
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104
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May 23, 2025
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Mdrun crashes with some md parameter during NPT (gmx compiled for rocm,AdaptiveCPP)
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8
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81
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May 22, 2025
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Error While running npt equillibration of last frames extracted form complex
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0
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14
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May 22, 2025
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System has non-zero total charge: -1.000000
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1
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27
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May 19, 2025
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ERROR 1 [file dd.itp, line 198]: No default Proper Dih. types
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0
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22
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May 19, 2025
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