normal Curcumin coarse grained (beads definition)

  • Sherllyn
  • Sherllyn's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
2 years 8 months ago #9064 by Sherllyn
Hello, does anybody know how to interpret or to categorize the curcumin coarse grain beads written in this force field martini_v2.0_phytochemicals.itp ? I already have all atom file for curcumin and I want to convert it into coarse grain but I'm a little bit confused on how to put each atom in all atom file into a group of beads using martini force field especially the diketones part. I try to find it in journals but nothing really help, so thankyou so much if anyone knows how to solve my problem

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

More
2 years 8 months ago #9065 by riccardo
Replied by riccardo on topic Curcumin coarse grained (beads definition)
Please see the supporting information of the corresponding paper ( pubs.acs.org/doi/abs/10.1021/cb500086e ), Figure S5. That figure shows the CG mappings, including the one of curcumin.

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

Time to create page: 0.100 seconds