On Tue, Jun 18, 2013, Rasha Alqus wrote:
>
> My system is formed from chains of carbohydrate, the chains are
> connected together by hydrogen bond, a recent paper have published two
> type of hydrogen bond pattern present for the system. I have built my
> system but i would like to know how i can set the hydrogen bond between
> the chains.
It's not quite clear what you want to do. If you wish to create a starting
structure that contains certain hydrogen bonds, I recommend treating these
distances as "NMR" restraints, and running MD to see if you can get reasonable
structure that satisfy the restraints (i.e. have the hydrogen bonds you want).
[If the "recent paper" is from Freedberg, you can probably just start from the
crystal structure of sucrose....]
...dac
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Received on Tue Jun 18 2013 - 07:00:02 PDT
