Dear,
     In the MD, I find that when the ligand keep in the active site , the 
channel formed by two loops is closed. without the ligand the channel is 
opened. I don't know how to describe the change of channel. could i describe 
the channel by calculating the the most narrow distance(mass center) between 
the residues on the two loops? please give me some adviece. thank you very much!
   


-- 
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to