SSBonds and charge problems

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Fri, 11 Apr 2003 15:54:23 -0400

Hi
I am experiencing some problems with my disulfide bonds. When I start
out at 0.00 time, I have disulfide bonds(CYX), but after just 125 fs
they break and separate. Why is this?

Another problem I have is that in leap when I load my protein, it tells
me that it has zero unperturbed/perturbed charges without any addition
of counter ions or water. Why is this?

Thanks, Steve 

-- 
  Steve A. Seibold , Ph.D.
  22A  Chemistry Building
  Michigan State University,
  East Lansing, MI 48824
  517-355-9715;ext.258
Received on Fri Apr 11 2003 - 20:53:02 PDT
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