[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

Re: [gmx-users] Re:problem adding H atoms

Stacey Meadley wrote: 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