[gmx-users] Why pdb2gmx could not accept tip4pd as the water model?

[ZHANG Cheng]

I got the a99SB-disp forcefield with tip4pd.itp as the water model.


The a99SB-disp.ff file has been copied: "/usr/local/gromacs/share/gromacs/top/a99SB-disp.ff"
The tip4pd.itp file has also been copied to "/usr/local/gromacs/share/gromacs/top"


However using "-water tip4pd" in "pdb2gmx" will cause error:


Error in user input:
Invalid command-line options
  In command-line option -water
    Invalid value: tip4pd



So how can I properly use the tip4pd in "pdb2gmx"?