Dear amber users,
I am working on the parametrization of some non-canonical amino acids
(NCAAs), but I have encountered a problem:
The NCAA I am currently working with, has a silicon atom within its
structure. I was able to obtain mol2 files and everything but when I get
to the point of obtaining the frcmod files, I get this error back:
>Atom type of DU does not exist in PARMCHK.DAT
After this I checked the gaff2.dat file to see if I could make some
change into my prepin file, but there is nothing about Silicon atoms and
I am a bit lost on how to proceed. Has anyone worked with parametrizing
molecules with silicon atoms and can help me out with this?
Thanks.
Best,
Rosa Teijeiro Juiz
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Received on Fri Feb 21 2025 - 04:30:02 PST
