[gmx-users] Which is better to make pqr files: pdb2pqr or GROMACS?

[Ooker]

Hi all,

I have a pdb file and I would like to make a pqr one. In 
GROMACS, I use editconf -mead to produce pqr, with 
topol.top taken from pdb2gmx or use it to produce pdb 
file, then use pdb2pqr. Which one is the better?


Thank you so much.