Hi Fenghui
It's not possible at this moment to have mobile cysteine bonds that form and
break during a single simulation. I suffer from the same problem with 3
cysteine bridges. I have some code that I wrote which performs cys-cys bond
breaking and forming, which you're welcome to, though it hasn't been tested
or peer-reviewed (other than by my supervisor). In essence it bonds cys to
cys via a distant dependent probabilistic function. I'm in the process of
upgrading it, the new bug-free version should be ready in a couple of weeks
if you're interested....
Best
Hayden
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Received on Wed Nov 08 2006 - 06:07:06 PST
