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CA addition neutralization
- imankatouzian
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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.
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.
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- riccardo
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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
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
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