Hi, The recent discussion on Rwork/Rfree ratio reminded me of something I was wondering about (*). When counting constraints as observations for determining the observation to parameter ratio, is each unique constraint counted, or each time a given constraint is used. For example, if there are 4 carbon oxygen bonds (assuming the same parameters, let's say serine beta-carbon to serine gamma-oxygen), would this count as 4 constraints as observations, or 1?
Intuitively, it seems to me like it should be counting unique constraints (although as near as I can tell these aren't listed in refmac5 logfiles). But I don't have a clear explanation for why, and of course I could be wrong on this. Thanks, Pete * Rough translation - I'm about to ask another stupid question. Not like it's the first time.
