Hello I am just trying to do a simple MD on a dimmer system (in which the dimmers are NOT identical). I can use pdb2gmx to create a topology file and four .itp files:::: pores.chainA.itp, pores.chainX.itp; system.Protein.chainA.itp and system.Protein.chainX.itp.
When I use grompp however, I get a fatal error “Group protein not found in index file. Maybe you have non-default groups in your .mdp file, while not using ‘-n’ option in grompp” I’ve looked up this error on-line but I don’t see people getting this error when using multiple chains. I only have protein present and nothing else. I am obviously doing something incorrect. I would greatly appreciate any comments that would help me.. Thanks. -- 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
