On Sun, Dec 26, 2021, Alexander Izvorski wrote:
>Hello Amber folks - I'd like to try the RNA parameters from leaprc.RNA.Shaw.
>
>Using this script in tleap produces an error:
>
>source leaprc.RNA.Shaw
>test = loadPdb 7act_test.pdb
>saveAmberParm test test.top test.crd
>
>Error: Could not find angle parameter: OH - P - OQ
>Error: Could not find angle parameter: OH - P - OQ
>Error: Could not find angle parameter: OH - P - OR
It looks like the frcmod.shaw file is just missing parameters for connecting
OHE to an RNA chain. You can take values for OH-P -OS and O2-P -OH from
parm10.dat, change "OS" to "OQ" and "O2" to "OR" (check that I've got this
correct!), and put them into frcmod.shaw.
....dac
cc-ing to tec3: can you check this, and twist someone's arm to create a
patch? ...thx
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Received on Sun Jan 02 2022 - 10:30:02 PST
