Discussions

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  Questions Regarding the Validation of Potential of Mean Force (PMF)

  zhangtrzhangtr asked Sep 18, 2024 in Q&A · Unanswered

  

  

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  Some questions regarding bead selection in the Martini 3 force field

  zhangtrzhangtr asked Jul 19, 2024 in Q&A · Answered

  

  

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  regarding bead selection in the Martini 3 force field

  zhangtrzhangtr asked Jul 19, 2024 in Q&A · Unanswered

  

  

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  Questions about solvent miscibility

  rswf asked Jul 12, 2024 in Q&A · Answered

  

  

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  Several questions about verifying the transfer free energy of styrene

  rswf asked May 20, 2024 in Q&A · Answered

  

  

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  On LINCS warnings and the numerical stability of Martini 3 models

  yuqingxiong96 asked Apr 24, 2024 in Q&A · Answered

  

  

  

  

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  Some issues regarding the validation and comparison of results between coarse-grained molecular dynamics simulations using the Martini 3 force field and all-atom molecular dynamics simulations.

  zhangtrzhangtr asked May 13, 2024 in Q&A · Unanswered

  

  

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  Dihedral parameters in the Martini 3 force field topology file

  yuqingxiong96 asked Mar 27, 2024 in Q&A · Answered

  

  

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  Constraints Setup for Small Molecule Solvent o-Dichlorobenzene in Martini3 Force Field

  zhangtrzhangtr asked Mar 19, 2024 in Q&A · Answered

  

  

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  Questions about establishing the Martini3 force field top file for thiophene ring structures.

  zhangtrzhangtr asked Mar 13, 2024 in Q&A · Answered

  

  

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  Regarding the issue of dihedrals parameters in the Martini 3 force field top files for constructing molecules.

  zhangtrzhangtr asked Feb 28, 2024 in Q&A · Answered

  

  

  

  

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  Sim of multiple small molecules with protein simultaneously

  agoliaei asked Jan 26, 2024 in Q&A · Closed · Unanswered

  

  

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  the construction of molecular models using the Martini 3 force field

  zhangtrzhangtr asked Feb 27, 2024 in Q&A · Answered

  

  

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  How to determine the exclusion of N-DMBI？

  yuqingxiong96 asked Dec 20, 2023 in Q&A · Answered

  

  

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  On the mapping of the adenosine molecule

  yuqingxiong96 asked Nov 9, 2023 in Q&A · Answered

  

  

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  On the mass of benzene

  FAQ Potential questions for a FAQ section

  dspoel asked Apr 24, 2023 in Q&A · Answered

  

  

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  On the mapping of the N-DMBI molecule

  Clare-xiong asked Apr 13, 2023 in Q&A · Answered

  

  

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  How to obtain factors for the virtual site constructions?

  FAQ Potential questions for a FAQ section

  Clare-xiong asked Apr 8, 2023 in Q&A · Answered

  

  

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  Methyl-benzoate bonded construction & mapping

  FAQ Potential questions for a FAQ section

  vaidyanathanms asked Jun 16, 2022 in Q&A · Answered

  

  

  

  

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  Clarifications on mappings (TC5 beads in aromatic rings)

  FAQ Potential questions for a FAQ section

  bo-pang asked Apr 1, 2023 in Q&A · Answered

  

  

  

  

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  Self-assemble of molecules

  junzhoux asked Sep 14, 2022 in Q&A · Answered

  

  

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  Welcome to Martini3-small-molecules Discussions!

  ricalessandri announced Oct 24, 2022 in Announcements

  

  

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