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1 parent acc0bf7 commit 09e31ebCopy full SHA for 09e31eb
beta/relax_amber.ipynb
@@ -68,7 +68,7 @@
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"\n",
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"if not os.path.isfile(\"AMBER_READY\"):\n",
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" print(\"installing amber...\")\n",
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- " 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",
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" os.system(\"touch AMBER_READY\")\n",
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"PATH = f\"/usr/local/lib/python{PYTHON_VERSION}/site-packages/\"\n",
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