1. General topics
  3. Tools
  5. Assignment between atoms and CG beads

unanswered Assignment between atoms and CG beads

  • FJSP22
  • FJSP22's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
1 year 3 months ago #9570 by FJSP22
Assignment between atoms and CG beads was created by FJSP22
Hi everyone,

I'm facing a problem and I don't know if there is an available tool to do this or if I'll build it using rdkit or similar.

I looking for a tool to link atoms to coarse-grained beads. Like, if I provide atomic coordinates, CG itp, and CG gro file as input files, they give me as output which atoms correspond to each CG bead.

Thanks in advance,

Fred

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

  1. General topics
  3. Tools
  5. Assignment between atoms and CG beads
Time to create page: 0.078 seconds