Does anyone know why MMPBSA.py currently cannot do non-polar solvation decomposition in the MMPBSA approach?

Luis Fernando Cofas-Vargas @Luis-Cofas-Vargas

11 May 2022 0 8K Report

I would like to understand why MMPBSA.py can decompose non-polar solvation energies in GBSA method, but not with PBSA, if they both have a similar approach to calculate that value.

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