CHARMM Development Project
Posted By: sreeganb CHARMM parameters for Adenosine - 09/07/21 09:36 PM
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.

Attached picture reaction.png
Posted By: lennart Re: CHARMM parameters for Adenosine - 09/08/21 11:49 AM
Residue ADE with terminal patches 5TER and 3TER on the generate line, and then the DEO5 patch should give you adenosine.
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