deletions | additions       diff --git a/subsection_Benchmarking_ProCS_against_full__.tex b/subsection_Benchmarking_ProCS_against_full__.tex  index f0d0966..70b3622 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 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 \ref{tab:vsqm}. \ref{table:vsqm}.  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.