The following is a part of a .pdb file I generated.
HETATM 250 C1 UNK 1 18.454 11.417 22.519 1.00 0.00 C HETATM 251 C2 UNK 1 19.297 10.247 22.595 1.00 0.00 C HETATM 252 C3 UNK 1 19.949 9.511 21.410 1.00 0.00 C HETATM 253 C4 UNK 1 20.244 8.034 21.669 1.00 0.00 C HETATM 254 C5 UNK 1 21.458 7.527 21.887 1.00 0.00 C HETATM 255 C6 UNK 1 22.793 8.230 22.144 1.00 0.00 C HETATM 256 C7 UNK 1 22.749 9.752 22.264 1.00 0.00 C HETATM 257 C8 UNK 1 23.873 10.420 23.098 1.00 0.00 C HETATM 258 H1 UNK 1 22.039 6.693 21.885 1.00 0.00 H HETATM 259 H2 UNK 1 19.416 7.379 21.609 1.00 0.00 H ... etc. I'm getting an UNK not found in residue topology error message. After I run pdb2gmx -f XXX.pdb -o conf.pdb Fatal error: Residue 'UNK' not found in residue topology database I tried replacing UNK with H and C, respectively, and still got the same error except with "Residue 'H' not...". What do I replace the UNK with to run the file smoothly or how do I add the unknown atom types so that the command runs? 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
