Chih-Ying Lin wrote:
Hi
The MSD decrease occurs in the long times.
The ligand has bounded to a protein.
How can the decrease happen?
Probably because the ligand, being bound to the protein, has its motion
restricted by its interaction with the protein. I don't see the purpose of
measuring the MSD of a bound compound, since it probably shouldn't change much,
anyway, if the ligand remains in the active site. MSD is much more useful for
measuring the movement of more freely-diffusible entities (solvents, lipids, etc).
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
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/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/mailing_lists/users.php
