From: GORDON::COCKCROFT "Jeremy Karl Cockcroft (Tel. 0171-631-6800)" 2-OCT-2000 18:23:55.15
To: SMTP%"sianc.davies@bbsrc.ac.uk"
CC: COCKCROFT
Subj: RE: PROJECT
Dear Sian,
Just seen the problem. The intention is that you start with the refined RT
structure, not the very crude model that I used as the starting point for the
RT structure. If this is the case, I will need to add the word "refined" to the
project instructions.
It may work starting from the crude model - I will check this out just
out of curiosity, but with both lattice paramaters and coordinates being way
off, then it might not converge easily.
Jeremy Karl.
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