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PYRC and 1MC
#37808 01/24/20 09:00 PM
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tameza Offline OP
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Hello, I am in search of residues PYRC and 1MC. They were part of the CHARMM27 force field from what I've seen online, but do not see them as part of CHARMM36. Were they changed to something else or deleted by chance?

Thanks, Angel

Re: PYRC and 1MC
tameza #37809 01/25/20 05:37 PM
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rmv Offline
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There's been some reorganization of the files, but those patches were easy to find with a quick Linux command:

Code:
% grep -e 1MC -e PYRC stream/*/*str
stream/na/toppar_all36_na_model.str:PRES PYRC         0.00 ! Patch to generate CYTOSINE (pyrimidine)
stream/na/toppar_all36_na_model.str:PRES 1MC        0.000  ! 1-Methyl Cytosine patch


Rick Venable
computational chemist


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