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problems with dna/ran multiple conformations

M. Vogtherr martin at btc9x3
Wed Jan 15 09:19:06 EST 1997


When trying to refine an RNA structure, the calculation yielded high dihedral
angle energies. This is apparently due to the fact that the program uses the
"wrong" energy minimum (e.g. 324.3 instead of 36.2 for nu2, yielding an energy
of 20 kcal in this case as the value at the end of the simulation is 34.2).
Does this problem occur more often? How can I improve the recognition of the
"nearest" minimum?



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