Dear Gromacs User My pdb is homodimer with Arg as c-terminal residue. With this pdb I am etting following error in pdb2gmx command Program pdb2gmx, VERSION 4.0.7 Source code file: pdb2gmx.c, line: 429
Fatal error: Atom OXT in residue ARG 107 not found in rtp entry with 17 atoms while sorting atoms The command executed is as follows pdb2gmx -f .pdb -o .gro -p .top I tried to change the OXT atom name in pdb file to O2, then also I am getting the same error. In .rtp entry there is ARG residue as N-ter but for C-ter ARG there is no residue. Please suggest. Waiting for helps from gromacs users. Shahid Nayem
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