unanswered Using PME to Martini

  • Jinyoung
  • Jinyoung's Avatar Topic Author
  • Away
  • Fresh Boarder
More
3 weeks 6 days ago - 3 weeks 6 days ago #9155 by Jinyoung
Using PME to Martini was created by Jinyoung
Dear all :)
I want to simulate a protein with Na+/CL- in polarizable water with Martini 2.2P force field, but as I know, the Martini doesn't consider the long range coulomb force.
I want to use the PME to accelerate simulation speed than using
coulombtype = reaction-field or shift
My system is both protein(s) in solution and protein embedded membrane.

In the FAQ section, It is mentioned that When using PME, please make sure your system properties are still reasonable.

Is there anyone know something about guideline for using PME?

Any answer will be appreciated!
My e-mail address is This email address is being protected from spambots. You need JavaScript enabled to view it. if there is any problem, please send me email :)

Thank you!

Jinyoung
Last edit: 3 weeks 6 days ago by Jinyoung.

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

Time to create page: 0.095 seconds