unanswered Bead mapping: Martini 2.1 vs 2.2

  • peter
  • peter's Avatar Topic Author
  • Offline
  • Fresh Boarder
3 months 3 weeks ago #9159 by peter
Bead mapping: Martini 2.1 vs 2.2 was created by peter
Dear fellow researchers,

I am curious regarding the probable changes in the molecular "building blocks" in Table 3 of the Matini 2.1 paper .

For example, benzene has been modified from an SC4 trimer to an SC5 trimer in the Martini 2.2 paper about the improved amino acid parameters.

Do these changes apply to only these specific aromatic/cyclic fragments, or should I consider some further modifications during the ligand mapping? Please let me know as feasible. Thank you very much!

Note: 2-butyne should have a triple-bond in the Table 3 schematic instead of a double bond.

Please Log in or Create an account to join the conversation.

Time to create page: 0.091 seconds