Hi I want to calculate the standard deviation of SASA of each residue of a peptide. When using -or option for complete peptide in g_sas we get residue vs sasa only. So i tried by creating an index file for each residue separately (residue1.ndx, residue2.ndx and so forth) and then by calculating by using -o option i got time vs sasa for each residue, thinking that this will give me average sasa per residue as well as its standard deviation. But I see that the average value obtained by this method for each residue is different from the one i got by using -or option (and calculating for complete peptide). Why is it so? Doesnt -or option gives average sasa over entire trajectory per residue? Can anyone suggest any way to compute the standard deviation?
Thanks. Regards, Harpreet
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