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How to generate an .itp file for MoSSe
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0
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3
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September 17, 2025
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Issue generating PFBS anion parameters with LigParGen
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1
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15
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September 15, 2025
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SARS-CoV-2 RNA simulation
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0
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17
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September 8, 2025
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Rigid TIP4P energy and force computations
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8
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34
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September 5, 2025
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Assistance Needed: "Atomtype F not found" Error in GROMACS Minimization with TFE Solvent
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1
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12
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September 3, 2025
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How to generate topology and .itp files for succinic acid and Zn²⁺ in GROMACS using OPLS-AA?
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0
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15
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August 28, 2025
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`No default Improper Dih. types` for ACE-PRO-NME peptide with charmm36-jul2022.ff
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6
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189
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August 18, 2025
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Pdb2gmx fails: Residue 'MGP' not found in CHARMM36 force field
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1
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22
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August 9, 2025
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Ligand Topology can't generated
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2
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28
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August 7, 2025
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ImportError: cannot import name 'gcd' from 'fractions'
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10
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4723
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August 7, 2025
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Adding [Fe4S4]+2 cluster parameters to charmm36.ff file
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2
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44
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August 5, 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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17
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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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29
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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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2740
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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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61
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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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20
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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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272
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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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18
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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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26
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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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396
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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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22
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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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411
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June 20, 2025
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Prepare HEME topology
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5
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567
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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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31
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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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26
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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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116
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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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16
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May 29, 2025
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