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Joined: Oct 2020
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Joined: Oct 2020
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Hello CHARMM users,

I am trying to find parameters for Adenosine molecule. I have attached an image of the reaction that I am trying to simulate. I can find parameters for AMP, ADP and ATP amongst the files in the toppar directory but not for the
adenosine molecule. Any help would be appreciated.

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reaction.png
Joined: Sep 2003
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Residue ADE with terminal patches 5TER and 3TER on the generate line, and then the DEO5 patch should give you adenosine.


Lennart Nilsson
Karolinska Institutet
Stockholm, Sweden
1 member likes this: sreeganb

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