Merge pull request #302 from OpenFreeEnergy/update_forcefield_settings

bump to openfe v1.10.0 and update settings to include lipid17_merged

Author: atravitz

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",

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