This repository contains files for running simulations using the TIP3P-FB and TIP4P-FB water models in Gromacs, OpenMM and AMBER.

For OpenMM we provide:

• PDB coordinates for 512-water box
• Force field XML file
• Run configuration file
• OpenMM-MD.py script for running simulation

For Gromacs we provide:

• Coordinate .gro file for 512-water box
• Topology .top file for 512-water box
• Parameter .itp file
• Run configuration file

For AMBER we provide:

• Force field .frcmod parameter file
• solvents.cmd for generating solvents .lib file in AMBER distribution
• fb4box.off and fb3box.off coordinates for use with tleap