deletions | additions       diff --git a/subsection_Benchmarking_ProCS_against_full__.tex b/subsection_Benchmarking_ProCS_against_full__.tex  index 6652d42..319b8ab 100644  --- a/subsection_Benchmarking_ProCS_against_full__.tex  +++ b/subsection_Benchmarking_ProCS_against_full__.tex 
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\subsection{Benchmarking ProCS against full QM calculations}  Eq (1) is parameterized using OPBE/6-31G(d,p)//PM6-D3H+ calculations so we compare ProCS against full OPBE/6-31G(d,p)//PM6-D3H+ calculations on ubuiquitin ubiquitin  (1UBQ) and protein G (2OED) to test for errors introduced by the inherent additivity assumptions and the structural simplifications in the model systems used for the DFT calculations. The results are summarized in Table 1. The first row, marked "all", summarize results for ProCS if all but the last two terms of Eq 1 are included. The last two terms correct for the use of PM6-D3H+ as the structural model and explicit solvent effects, respectively and are thus not relevant when comparing to DFT calculations using PM6-D3H+ optimized geometries.