On Thu, Oct 06, 2022, Jiaan Zhu via AMBER wrote:
>
>I’m trying to parametrize a nucleotide analog(named 1W5 in PDB), and when
>I run the following parmchk2 command ' parmchk -i 1w5.prepin -f prepi -o
>frcmod.1w5 -a Y -p dat/leap/parm/parm10.dat', it raised an error 'Atom type
>of NO does not shown up in PARMCHK.DAT’.
You don't say what you started from to make the parameterization.
Presumably(?) the "NO" atom type came from that choice. In older Amber
force fields, atom type NO was equivalenced to N* and NC and NP. etc. So
you can probably change your NO atom type to one of those. This is a bit of
a guess in the absence of more information.
....dac
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Received on Sat Oct 08 2022 - 17:00:03 PDT
