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normal what does the angle mean in CG

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10 years 4 months ago #3039 by fugui
what does the angle mean in CG was created by fugui
Dear CG users,

What does the angle force field parameters mean? Is it the angle parameter between three beads?
I think it is not the angle between three beads, but the tortion between two beads?

Am i right?

Any information is appreciated.

Best Regards

Fugui

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10 years 4 months ago #3041 by fugui
Replied by fugui on topic what does the angle mean in CG
I am sorry, i think i am wrong.

Actually, the ligand is a polyene, and i have no idea on how to make the atoms around the double bonds on the same plane.

The molecular is something like: C=C-C=C-C=C-C=C-C=C-C=C, the rotation around the single bond is restricted.
So how to define this kind of restriction in the simulation?

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10 years 4 months ago #3102 by xavier
Replied by xavier on topic what does the angle mean in CG
This would require the use of dihedral angles. You can inspire yourself from existing molecules and consult basic tutorial/course on modelling to get some ideas on what is possible and how to do it.

fugui wrote: I am sorry, i think i am wrong.

Actually, the ligand is a polyene, and i have no idea on how to make the atoms around the double bonds on the same plane.

The molecular is something like: C=C-C=C-C=C-C=C-C=C-C=C, the rotation around the single bond is restricted.
So how to define this kind of restriction in the simulation?

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

  1. Force Fields
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