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
The same works with leaprc.RNA.OL3. The input file is attached (it is from
7ACT in rcsb.org, with just the residue of the first atom changed to OHE).
My software version is ambertools=21.11 from conda-forge on Ubuntu 20.04.
I can't really tell what is going on, or which residue is affected. Why
the difference between Shaw and OL3? Is there something wrong with either
my input file or tleap script?
Thanks!
Alex
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Dec 26 2021 - 15:00:02 PST
