unanswered add a new polymer with SP0 bead type

  • Leila_sharifi
  • Leila_sharifi's Avatar Topic Author
  • Offline
  • Fresh Boarder
4 months 2 weeks ago #9715 by Leila_sharifi
add a new polymer with SP0 bead type was created by Leila_sharifi
I made a .itp file for my polymer ( poloxamer188). it has two monomers, first is PEO which is SP0 bead type and the other monomer is PPO which is SN0 bead type.
I make a itp and gro file for this polymer. when I want to run the minimization, I understand that the SP0 bead type is not defined in martin_v2 itp file. so I understand I have to add SP0 bead type to ; MARTINI FORCEFIELD V2.2.itp file.
but I do not know how to add it? where can I get the parametrization of SP0 ? I am new in MD simulation, can you start explain step by step please?

Many thanks

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

Time to create page: 0.076 seconds