# If ParmEd is older than 2.0.4 then halt - newer ParmEd is required to have correct FudgeLJ/FudgeQQ retained in GROMACS topologies.
try:
ver = parmed.version
except:
oldParmEd = Exception('ERROR: ParmEd is too old, please upgrade to 2.0.4 or later')
raise oldParmEd
if ver < (2,0,4):
> raise RuntimeError("ParmEd is too old, please upgrade to 2.0.4 or later")
E RuntimeError: ParmEd is too old, please upgrade to 2.0.4 or later
The new version of
ambertools ==20.0
seems to have broken compatibility withopenmoltools
.In particular, the version number of the ParmEd which ships with the new ambertools seems to be incorrect.
ambertools = 20.0:
parmed at20RC5+54.g5702a232fe.dirty pypi_0 pypi
ambertools = 19.11:
parmed 3.2.0 pypi_0 pypi
which yields the following exception:
cc @jaimergp