[gmx-users] Re:problem adding H atoms

Hi Justin, the gromacs version is 4.0.4. command line: pdb2gmx -f 1B9Eostate.pdb -o 1B9Eostate.gro -p 1B9Eostate.top -ff amber03 message: WARNING: atom H is missing in residue ILE 2 in the pdb file You might need to add atom H to the hydrogen database of residue ILE in the file

[gmx-users] problem adding H atoms

Hi, I am using pdb2gmx with amber ff and there is a problem adding the H atom to the second residue of both chains of my protein? The residue at that location is repeated in later in the chain and has no problem with the hydrogens so I don't understand why it gives me the error? I relatively