Description
Hi,
I tried using convert_amber.py, but getting an error:
python convert_amber.py --input leaprc.lipid21 --input-format leaprc --output-dir ./ffxml/
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 57, not 50 atoms for residue AR
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 59, not 52 atoms for residue DHA
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 57, not 50 atoms for residue OL
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 53, not 46 atoms for residue PA
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 46, not 38 atoms for residue PC
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 37, not 29 atoms for residue PE
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 39, not 31 atoms for residue PGR
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 39, not 31 atoms for residue PGS
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 28, not 20 atoms for residue PH-
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 39, not 31 atoms for residue PS
warnings.warn(
/MD3/lib/python3.12/site-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 53, not 52 atoms for residue ST
warnings.warn(
Traceback (most recent call last):
File "/openmmforcefields-main/amber/convert_amber.py", line 2356, in
main()
File "/openmmforcefields-main/amber/convert_amber.py", line 181, in main
ffxml_name = convert_leaprc(args.input, ffxml_dir=args.output_dir)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/openmmforcefields-main/amber/convert_amber.py", line 324, in convert_leaprc
params.write(
TypeError: OpenMMParameterSet.write() got an unexpected keyword argument 'keep_types'