Problem on cv files used in X-plor and CNS
ziweiguan at yahoo.com
Mon Nov 12 20:15:35 EST 2001
I first refined my structure with X-plor 3.851, and
later I changed to CNS for further refinement. I have
a question on the cv files used in x-plor and CNS.
in x-plor, I first used the original cv file (output
from setup_free_r.inp) in refinement, and then I used
setup_bulksol.inp and baoverall.inp to generate a
baoverall.cv which was used in the later steps. After
I changed to CNS, which cv file should I use? The
original one or the baoverall.cv after bulk solvent
any comments and suggestions are welcome.
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