[gmx-users] adding hydrogens to protein with pdb2gmx

[reisingere at rostlab.informatik.tu-muenchen.de]

Hi everybody,
when I want the program "pdb2gmx" only to create a topology file but not
to change anything at the protein. Not even adding hydrogen atoms to the
protein.
Because my protein already has hydrogen atoms. I only added one residue
and I want to minimize this residue now.


Do I have to call it like this:

pdb2gmx -f inputProtein.pdb -o outputProtein.gro -p protein.top -i
posre.itp  -water none -ff amber03 -ignh

Is that right?

Thank you