Dear gmx users, After running a pdb2gmx script of the pdb file I am getting an error message:
Fatal error: Atom P in residue DC 2 was not found in rtp entry DC5 with 28 atoms while sorting atoms. The DC 2 in pdb file: TER 11412 LEU B 366 ATOM 11413 P DC C 2 0.997 17.702 5.368 1.00 77.21 P ATOM 11414 OP1 DC C 2 -0.278 17.623 4.612 1.00 76.82 O ATOM 11415 OP2 DC C 2 1.374 16.596 6.287 1.00 76.77 O ATOM 11416 O5' DC C 2 2.181 17.899 4.319 1.00 75.66 O ATOM 11417 C5' DC C 2 2.302 19.107 3.565 1.00 72.46 C What can be wrong with the P atom? Thanks for any suggestions. best Urszula Uciechowska ----------------------------------------- Ta wiadomość została wysłana z serwera Uniwersytetu Gdańskiego http://www.ug.edu.pl/ -- 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.
