Hello everybody, I have got a very basic question regarding the theoritical calculation of the RDC. While we do an order matrix analysis to calculate the expected RDC we have the following equation
A.x=b ---- eq (1) where A is a matrix composed of the direction cosines of the internuclear vectors ( for the fragment under concern) x is the alignment tensor matrix and b is the Experimental RDC for the fragment First we calculate x by doing an inverse of A and multiplying it with b as x = inverse(A) * b And finally in order to calculate the expected dipolar coupling for the given fragment we substitute x back in the equation (1) As the equation implies, one would expect the calculated dipolar coupling for the given fragment to be the same as the experimental RDC! The question is, how is that a particular fragment having different conformation (say 2) have different set of calculated RDC??? I know that it will be a very trivial question..... but i could not understand.... Or is there any loss of information when we do the back calculation for expected RDC that brings about the difference between the calculated and experimental RDC. Thank you in advance! with best regards, Arun Prasad -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20070710/828feb26/attachment.html
