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Bonded interactions
- Yufeng
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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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- xavier
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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.
- Yufeng
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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.