Dear Gromac's users! I'm working with the GFP protein which has chromophore (CRO) group which is covalently bonded to the protein. I want to add new residue to the Gromos 53.6 ff. by means of algorithm described here.
For that I've coppied files to my local work dirr and modify all of them in accordance to the above tutorial- I've coppied .itp of CRO to the aminoacids.rtp [ CRO ] [ atoms ] etc I've defined bonds of the djacent real amino acids in the specbond.dat Finally I've defined CRO (as the protein) in the residuetypes.dat When I've try use pdb2gmx I've obtain error Fatal error: Residue 'CRO' not found in residue topology database What I've done wrong? James -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
