Quoting sagar barage <sagarbar...@gmail.com>: > Dear sir, > > I am dealing with drug-Enzyme MD but during position restrained MD > drug molecule moved from its original position of initial file. > > So what i can do for that? >
Create a position restraint file for the ligand and restrain it as you would anything else. -Justin > Plz help me waiting for your reply. > > -- > Sagar H. Barage > sagarbar...@gmail.com > ======================================== Justin A. Lemkul Ph.D. Candidate ICTAS Doctoral Scholar MILES-IGERT Trainee 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/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
