setting openmm-8.0.0 (required for python 3.11, new google colab defa…

…ult)
sokrypton · Jan 16, 2025 · 09e31eb · 09e31eb
1 parent acc0bf7
commit 09e31eb
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/beta/relax_amber.ipynb b/beta/relax_amber.ipynb
@@ -68,7 +68,7 @@
         "\n",
         "if not os.path.isfile(\"AMBER_READY\"):\n",
         "  print(\"installing amber...\")\n",
-        "  os.system(f\"mamba install -y -q -c conda-forge openmm=7.7.0 python='{PYTHON_VERSION}' pdbfixer 2>&1 1>/dev/null\")\n",
+        "  os.system(f\"mamba install -y -q -c conda-forge openmm=8.0.0 python='{PYTHON_VERSION}' pdbfixer 2>&1 1>/dev/null\")\n",
         "  os.system(\"touch AMBER_READY\")\n",
         "\n",
         "PATH = f\"/usr/local/lib/python{PYTHON_VERSION}/site-packages/\"\n",