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Adding [Fe4S4]+2 cluster parameters to charmm36.ff file
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1
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13
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August 1, 2025
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`No default Improper Dih. types` for ACE-PRO-NME peptide with charmm36-jul2022.ff
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4
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164
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July 28, 2025
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Why Does GROMACS Rename a DG Terminus to DG5 Without Manual Patching?
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0
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12
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July 22, 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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15
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July 21, 2025
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How to add GAFF force field to gromcs?
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4
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2661
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July 18, 2025
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How to create topology file for amorphous silica?
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3
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45
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July 18, 2025
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How to create restrained file for sol
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0
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11
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July 15, 2025
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How to solve the gaps in Charmm27 forcefield for RNA molecules?
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0
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6
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July 14, 2025
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Membrane Protein ligand simulation
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11
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208
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July 10, 2025
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How to write ryckaert-bellemans function in oplsaa force field
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0
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15
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July 7, 2025
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Clarification on Iodide Parameters for CHARMM36 in GROMACS
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0
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23
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June 30, 2025
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How to use ligand parameter file generated by ffTK in GROMACS?
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6
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372
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June 27, 2025
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How to prepare nucleotides for MD simulation?
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0
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23
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June 26, 2025
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LINCS Warning or Freeze Behavior Depends on GROMACS Version
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0
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17
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June 20, 2025
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Forcefield to simulate RNA molecules containing modifications with GROMACS and amber ff
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2
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388
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June 20, 2025
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Prepare HEME topology
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5
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541
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June 17, 2025
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Requirement of Gallium phosphide(GaP) forcefield prameters for MD calculation
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0
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18
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June 8, 2025
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Does bond order in MOL2 file affect rtp generation and pdb2gmx?
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2
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29
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June 5, 2025
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Is it possible to use an eam potential?
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2
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24
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June 5, 2025
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OPLS/2020 force field for GROMACS?
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3
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82
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June 4, 2025
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Confusion over RB and Fourier Dihedrals
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0
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13
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May 29, 2025
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Studying Zn2+ tetrahedal coordination stability
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0
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20
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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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10
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May 21, 2025
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Potential bug in pdb2gmx
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1
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29
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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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26
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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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Fatal error: Residue 175 named GLU of a molecule in the input file was mapped to an entry in the top
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0
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11
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May 18, 2025
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Atom C1 not found in building block 1MET while combining tbp and trp
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0
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54
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May 18, 2025
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Modifying CHARMM GUI files to work with OPC water model and CHARMM36
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9
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169
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May 17, 2025
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How to solve "No default bond types for interaction"
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0
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7
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May 16, 2025
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