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Guess force constants for angles and dihedrals from AA simulations?
- rajgnu
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4 years 11 months ago #8132
by rajgnu
Guess force constants for angles and dihedrals from AA simulations? was created by rajgnu
I am new to martini FF. I wish to calculate the force constants for angles and dihedrals from AA simulation trajectory. From previous posts, I found that the force constants come from fitting the widths of the corresponding distributions. Can anybody explain how exactly it can be done, do I need any script or calculation?
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- bart
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4 years 11 months ago #8133
by bart
Replied by bart on topic Guess force constants for angles and dihedrals from AA simulations?
There is a
tutorial
on our webpage which clearly explains how to use an AA reference simulation to obtain the CG bonded parameters.
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- Guess force constants for angles and dihedrals from AA simulations?
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