normal Comparison of CG angle distribution to atomistic data

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3 weeks 5 days ago - 3 weeks 5 days ago #7533 by yogi@martini
yogi@martini created the topic: Comparison of CG angle distribution to atomistic data
Hello experts,
I am getting such a angle distribution (see link : https://imgur.com/a/33gLb ) for tail ends of the lipid, where red and black colored plot are atomistic and cg angle distributions respectively.
Are they seem to be correct, share your thoughts.
Thanks
Last Edit: 3 weeks 5 days ago by yogi@martini.

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3 weeks 5 days ago #7534 by bart
bart replied the topic: Comparison of CG angle distribution to atomistic data
Based only on these two distributions guessing that the Red line is CG and the black line AA, that the force constant is rather high for the bond and could be relaxed a bit, also it could be shifted a bit more into the lower regime. You will never get the tail exactly right, but you could try to at least get the peaks to overlap. In short try to maximize the overlap of the two.

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