hi, i am using the following comamnd
pdb2gmx -ff amber99sb -f proteinamber.pdb -o protei2.pdb -p protein.top -water spce -ignh and gets the error Fatal error: Residue 2 named GLU of a molecule in the input file was mapped to an entry in the topology database, but the atom CG used in that entry is not found in the input file. Perhaps your atom and/or residue naming needs to be fixed. how to rename it ? regards -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
