diff --git a/cookbook/choose_protocol.ipynb b/cookbook/choose_protocol.ipynb index 0fa4e59..8221d8c 100644 --- a/cookbook/choose_protocol.ipynb +++ b/cookbook/choose_protocol.ipynb @@ -324,7 +324,8 @@ " 'amber/ff14SB.xml',\n", " 'amber/tip3p_standard.xml',\n", " 'amber/tip3p_HFE_multivalent.xml',\n", - " 'amber/phosaa10.xml'\n", + " 'amber/phosaa10.xml',\n", + " 'amber/lipid17_merged.xml',\n", " ],\n", " \n", " # Small molecule force field to use with OpenMM template generator:\n", diff --git a/environment.yaml b/environment.yaml index 74e7b8a..ea1ab03 100644 --- a/environment.yaml +++ b/environment.yaml @@ -8,11 +8,11 @@ dependencies: - nbval - nglview - notebook + - numpy <2.4.0 # https://github.com/OpenFreeEnergy/cinnabar/issues/198 - pip - pytest - pytest-cov - pytest-xdist - python - - gufe >=1.7.0, <1.8.0 - - openfe==1.8.0 + - openfe==1.10.0 - openff-interchange-base != 0.5.1 # https://github.com/openforcefield/openff-interchange/issues/1450