normal Bonded interactions

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9 years 6 months ago #1214 by Yufeng
Bonded interactions was created by Yufeng
Dear all

In the CG model,the bonded interactions between connected sites are described by weak harmonic potential as we know.the equilibrium distance between different sites chooses the same value,0.47 nm.i'm very confused why we just choose that value,not 0.45 or 0.50.also with the force constant of the harmonic bonding potential,1250 kj/mol nm.

Can someone tell me the reason?Beg for your reply.

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9 years 6 months ago #1215 by xavier
Replied by xavier on topic Bonded interactions
The equilibrium distance and the force constant are function of the molecules simulated. This is all explained in the papers describing the different force field versions ...

Links are available on the website.

Yufeng wrote: Dear all

In the CG model,the bonded interactions between connected sites are described by weak harmonic potential as we know.the equilibrium distance between different sites chooses the same value,0.47 nm.i'm very confused why we just choose that value,not 0.45 or 0.50.also with the force constant of the harmonic bonding potential,1250 kj/mol nm.

Can someone tell me the reason?Beg for your reply.

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

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9 years 6 months ago #1221 by Yufeng
Replied by Yufeng on topic Bonded interactions
Thanks and I will check the paper more carefully,thanks a lot for your reply~~

xavier wrote: The equilibrium distance and the force constant are function of the molecules simulated. This is all explained in the papers describing the different force field versions ...

Links are available on the website.

Yufeng wrote: Dear all

In the CG model,the bonded interactions between connected sites are described by weak harmonic potential as we know.the equilibrium distance between different sites chooses the same value,0.47 nm.i'm very confused why we just choose that value,not 0.45 or 0.50.also with the force constant of the harmonic bonding potential,1250 kj/mol nm.

Can someone tell me the reason?Beg for your reply.

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

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