CNS: Bug in CNS regarding B-factors?

Markus Meier M.Meier at unibas.ch
Wed Mar 28 10:14:20 EST 2001


Dear all

Using the provided script minimize.inp of CNS Ver. 1.0, the B-factors
are changed comparing input and output file by a small amount of 0.01
(they are supposed to be constant).
If I use the script bindividual.inp and fix part of the B-factors in the
structure the output B-factors are even changed by a larger amount
(0.11) in the fixed part.

I am not happy about this, even though the changes are small. Did anyone
else have the same problem (and has probably a fix for it)?

Thanks
Markus

Markus Meier
MIH
Biozentrum der Universitaet Basel
Basel 
Switzerland

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