I recall that somewhere on the Gromacs website is the Drug-Enzyme tutorial by Kerrigan. That is what you are looking for.
Andreas > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] > On Behalf Of Rohit Farmer > Sent: 16 February 2010 08:33 > To: gmx-users@gromacs.org > Subject: [gmx-users] Reg: MDS of docked comples > > Hi there ... i am new to GROMACS ... however i am able to do mds of > simple protein structures under default configurations ... now i want > to simulate docked complexes .. the docking is done using autodock > .... in order to see the hydrogen bond variations between the ligand > and the active site lining residues.... but for this i don't have any > protocol ... therefore if anyone can suggest me a standard protocol > for simulating docked compexes along with the mdp files ... then > please do suggest ... > > > Regards > > Rohit > > -- > Rohit Farmer > M.Tech Bioinformatics > Department of Computational Biology and Bioinformatics > Jacob School of Biengineering and Biotechnology > Sam Higginbottom Institute of Agriculture, Technology and Sciences > (Formerly known as Allahabad Agricultural Institute - Deemed University) > Allahabad, UP, INDIA - 211 007 > Ph. No. 9839845093, 9415261403 > e-Mail rohit.far...@gmail.com > Blog http://rohitsspace.blogspot.com > -- > 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 -- 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
