normal Comparison of CG angle distribution to atomistic data

  • yogi@martini
  • yogi@martini's Avatar Topic Author
  • Offline
  • Junior Boarder
More
6 years 2 months ago - 6 years 2 months ago #7533 by yogi@martini
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: 6 years 2 months ago by yogi@martini.

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

More
6 years 2 months ago #7534 by bart
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.

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

Time to create page: 0.089 seconds