Hi Gromacs Users I have a query regarding g_sas which i intend to use for my MM/PBSA calcualtion
i am planing to use g_sas for calculating the SASA using a probe radius of 0.14 nm is this okay ????? o secondly ∆Gsolv,np = 0.00542*SASA + 0.92 is this master equation right third and important (1) first i calculate for PTN+water and get the SASA for protein (2 ) i calculate for LIgand +water and get the SAS for Ligand (3) I calculate Ptn+ligand+water and choose PTN+LIgand and get the SASA for P+ L right ??? (4) and the final SASA as *(Delta SASA)=SASA(protein)+SASA(ligand)-SASA(protein+ligand)** is this the right procedure. R.S.K.Vijayan
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