On Sat, Aug 18, 2018, Antonio Amber Carlesso wrote:
>
> A) to create 4 prepin files, one for each RNA bases with modified atom
> types for those atoms that are touched by the new parameters by, for
> example adding R at the end: e.g. like H62 -> H62R.
>
> B) create a frcmod files with the new parameters with those “***R”-atom
> types.
I think you are confusing atom *names* with atom *types*. The latter
are always 2 characters, and are what the force field is based on.
Atom names are specified by the IUPAC and the PDB, and are standards.
They have nothing to do with what force field is being used. So "H62" is
an atom name, and should not be changed.
...hope this helps....dac
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Received on Sat Aug 18 2018 - 17:30:03 PDT
