gmx_MMPBSA v1.4.3 (26/05/2021)

Additions

• Added two new tutorials Protein_ligand_LPH_atoms_CHARMMff and QM/MMGBSA calculations
• Now the program reports the p-value associated with the correlation coefficient when performing the correlation analysis
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Fixes

• Minor fixes in the documentation
• Improved parsing of forcefields variable
• Fixed bug when gmx_MMPBSA_ana runs without arguments
• Fixed compatibility with older files (< v1.4.0)
• Fixed error when debug_printlevel > 1 in tleap command

Changes

• Now the command line used is added to the log file
• The gmx_MMPBSA data folder is exported directly rather than copied in the $AMBERHOME data folder.