Hi, thank you for answering my previous posts i encountered some issues with using SUM averaging option for ambiguous NOE's (i want to treat methyl groups as ambiguous, because they seem to be closer than they are since there are three same chemical shift protons albeit at different positions at each time)
the problem is that whenever i change noe ... averaging * cent .. end to ... averaging * SUM in the original sa.inp file calculation breaks and program complains that it does not know coordinates of atoms that happen to participate in ambigous noe contacts R-6 option also failed I wonder if anybody knows how to get around this? Thank you Evgeny.
