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

Ooker ganuongphap at gmail.com
Sun May 18 17:27:42 CEST 2014

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.

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