gxm_MMPBSA v1.3.1 (09/02/2021)

Additions

• New variable (overwrite_data) to overwrite gmx_MMPBSA data.
• More informative message when sander fail. Useful for PB calculation

Fixes

• Protein-ligand with charmm force field example
• Stability calculation
• gmx path error
• leaprc.GLYCAM_06h-1 file
• Protein-glycan example

Changes

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