[gmx-developers] pdb2gmx default water model

[Berk Hess]

Hi,

pdb2gmx currently has spc as the default water model.
But now I have ported the Amber force fields to Gromacs, I don't want to
add the spc model
to Amber and spc is a bad model anyhow (although tip3p is even slightly
worse).
The question is what to do.
I see two options:
1) make spc/e default, which is better than both spc and tip3p
2) make the default water model force field dependent, this requires
an extension of one of the pdb2gmx input file formats and some coding in
pdb2gmx

What are your preferences or suggestions?

Berk