normal Guess force constants for angles and dihedrals from AA simulations?

  • rajgnu
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1 year 2 months ago #8132 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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1 year 2 months ago #8133 by bart
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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