Hello Dear Users I am using Gromacs 5.0 for protein-ligand simulation. After completing 50 ns MD following Justin's tutorial, I have used gmx_mdmat for protein residue contact matrix. Now, I want to use this command for protein-ligand atom contacts. Is this possible using mdmat? or is there any other way because I have seen some research groups have given contact maps between protein side chain atoms and ligand heavy atoms.
Best Wishes Patricia Jones -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
