[Chimera-users] Residue selection for simulation/energy-minimization

Kim, In-Kwon (kimiw) kimiw at ucmail.uc.edu
Thu Apr 19 02:33:09 PDT 2018

I am trying to publish our structure and modeling done by CHIMERA.
My questions are

  1.  What is the default option for distance for selecting residues around ligand (e.g., XX A around ligand).
  2.  Any time scale for simulation?

Here is my method description. Any suggestion, related citation, and help would be appreciated.

“~. Residues within XX A of the ligand was selected for simulation. The model was then subjected to energy minimization using the AMBER ff14SB protein force field in the Chimera package (34).”



In-Kwon Kim, Ph.D.
Assistant Professor
Department of Chemistry
University of Cincinnati
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20180419/b8f9eedf/attachment.html>

More information about the Chimera-users mailing list