normal CA addition neutralization

  • imankatouzian
  • imankatouzian's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
3 years 11 months ago #8485 by imankatouzian
CA addition neutralization was created by imankatouzian
Good day,

I am simulating my protein and have used ions.mdp file for charge neutralization pf my protein using CA atoms just like the all-atom simulation version, however, later, when I want to obtain minimization.tpr file I encounter this error :
ERROR 1 : No such moleculetype CA Can someone help me with this and is CA defined for CG simulations? Thanks.[file system.top, line 15]:
No such moleculetype CA

Can someone help me with this and is CA defined for CG simulations?

Thanks.

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

More
3 years 11 months ago #8490 by riccardo
Replied by riccardo on topic CA addition neutralization
I am not sure I understand all of it but it sounds like you want to add ions to your systems. Have you looked into these threads below?

www.cgmartini.nl/index.php/component/kun.../380-how-to-add-ions
md.chem.rug.nl/index.php/component/kunen...f-martini-protein-cg
cgmartini.nl/index.php/component/kunena/...izing-martini-system

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

Time to create page: 0.092 seconds