Dear GMX users,
I want to do calculations of PMF based SMD and US, for the SMD calculation,
first I should change the coordinates of the protein and ligand, so that the
orientation of the ligand is parallel with Z axis. Could someone tell me how to
deal with this step? Thanks very much!
All the best,
qinghua
--
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
