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How to use the forum
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1
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3789
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October 28, 2020
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About the User discussions category
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0
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2029
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April 24, 2020
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Does bond order in MOL2 file affect rtp generation and pdb2gmx?
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0
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3
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May 27, 2025
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Using minimum distance for umbrella sampling
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2
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18
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May 27, 2025
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CUDA toolkit in cryoSPARC for GROMACS
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0
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4
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May 27, 2025
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GROMACS cant detect GPU (AMD)
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7
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92
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May 27, 2025
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Gromacs can not recognize my amd gpu
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1
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13
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May 26, 2025
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Pdb2gmx: -ter option doesn't work
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0
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5
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May 26, 2025
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Can we run coarse gain simulation on newer version of Gromacs
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0
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10
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May 26, 2025
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PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
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0
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8
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May 26, 2025
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NVT Equilibration
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0
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10
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May 23, 2025
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Fatal error: Residue type 'NMA' not found in residue topology database
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0
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7
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May 23, 2025
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Unusual RMSD of ligand-protein
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6
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77
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May 23, 2025
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Surface tension calculation
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0
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14
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May 23, 2025
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Umbrella-sampling setup of molecule permeation through interface surfactant membrane
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14
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205
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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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59
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May 22, 2025
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Beadspring using Gromacs
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0
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15
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May 22, 2025
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Position Restraints Applied on the Whole System Even Though it was Only Defined for FW
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0
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13
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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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12
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May 22, 2025
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Acpype converting dihedral barrier units from kJ/mol to kcal/mol
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0
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14
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May 21, 2025
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AWH multiple .xvg files analysis
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0
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10
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May 21, 2025
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Keeping Polymer Wrapped Around Nanodisc Using Flat-Bottom Restraint
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0
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5
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May 21, 2025
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Studying Zn2+ tetrahedal coordination stability
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0
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10
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May 21, 2025
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How to make dihedral force constant in CB9H10 cage boron cluster
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0
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6
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May 21, 2025
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How to correctly define disulfide bonds in GROMACS?
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0
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24
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May 20, 2025
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Coarse grained MD on protein-RNA complex
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0
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8
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May 20, 2025
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Discrepancy in Tripeptide Aggregation Behavior Between GROMACS 2020.1 and 2023.3
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0
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10
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May 20, 2025
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Potential bug in pdb2gmx
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1
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20
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May 20, 2025
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System has non-zero total charge: -1.000000
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1
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21
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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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13
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May 19, 2025
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