Dear Users, I want to simulate a protein by GROMACS. When I use pdb2gmx command, topology and other files are produced from my pdb file. But when I define a box for my protein by editconf before pdb2gmx, I face with this fatal error:
"Atom OXT in residue VAL 226 was not found in rtp entry VAL with 8 atoms while sorting atoms" of course as I said, without defining a box, pdb2gmx is ok!! Thanks for any help, Hadi -- 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.
