I am new to Gromacs, then follow the tutorial protein-ligand, decided to adapt the procedure for my protein (acetylcholinesterase) and my binder. The procedure is this (protein-ligand complex):
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/comp lex/index.html> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/compl ex/index.html Well, I switched to facilitate the name of my protein and my binder by the names used in the tutorial. The problem occurs when I do the command: grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr The following error occurs: Fatal error: Molecule type 'Protein_chain_A' contains no atoms I do not know how I can fix .... so please help me. -- 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.
