Re: [gmx-users] Terminal_ARG_residue causing problem in pdb2gmx

2010-12-14 Thread Mark Abraham
On 14/12/2010 6:35 PM, shahid nayeem wrote: 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 fou

[gmx-users] Terminal_ARG_residue causing problem in pdb2gmx

2010-12-13 Thread shahid nayeem
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