NOESY spectrum prediction
chunqing at csd.uwm.edu
Mon Mar 16 11:51:36 EST 1998
Hi X-plor users:
I am trying to predict NOESY spectrum based on my DNA-drug complex using
X-plor program. I have several questions here.
1. How to get correlation time? I tried grid search program, but I can not
get a correlation time with lowest R value. I even tried the sample in the
program, the R value is going all way down as correlation time is going
longer. I do not know if I made any mistake in my calculation.
2. How to get order parameters?
3. How to display NOESY spectrum calculated?
Any help would be appreciated
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