g_mmpbsa commands

List of sub-commands available in g_mmpbsa

Command	Function
run	Run MM/PBSA calculation using trajectory and tpr file.
apbs	apbs program used in PB calculation. Not available in MacOS.
energy2bfac	Generate PDB file where decomposed binding energy is written in B-factor column.
average	Calculate final average binding energy including all energy terms. Supports multiple complexes at once.
correlation	Same as average, but also calculates correlation between predicted and experimental binding energies.
decompose	Calculate final average decomposed energies of residues with plots.

Contents

• run
• apbs
• energy2bfac
• average
• correlation
• decompose