[AMBER] What atom is atom type C1, C2 and C3

From: Maximilian Ebert <max.ebert.me.com>
Date: Thu, 7 Apr 2022 16:29:36 -0400

Hi everyone,

In $AMBERHOME/AmberTools/src/parmed/parmed/tools/changeradii.py there is an if statement checking for the atom type C1, C2 or C3. I couldn’t find this atom types in the AMBER force fields. I found a definition in the united-atom carbon types (http://www.uoxray.uoregon.edu/local/manuals/biosym/discovery/General/Forcefields/AMBER.html <http://www.uoxray.uoregon.edu/local/manuals/biosym/discovery/General/Forcefields/AMBER.html>). Could someone tell me what carbon atoms we look for at this place?

Thanks,
Max
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Received on Thu Apr 07 2022 - 13:30:03 PDT
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