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27 lines
545 B
Plaintext
27 lines
545 B
Plaintext
# gromacs
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if [ -z "$GMXRC" ]; then
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GMXRC="/opt/gromacs-2018/bin/GMXRC"
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fi
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source $GMXRC
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export CUDA_HOME=/opt/cuda
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# wham
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export PATH="/opt/wham/wham:/opt/wham/wham-2d:${PATH}" # binaries
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# pymol2
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export PATH="/opt/pymol2:$PATH"
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# python
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PYTHONPATH="$PYTHONPATH:/opt/modeller/modlib:/opt/modeller/lib/x86_64-intel8/python3.3"
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export PYTHONPATH
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export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/opt/modeller/lib/x86_64-intel8"
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#backup
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#if [[ ! -e /tmp/$(date +%u).sem ]]
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#then
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# touch /tmp/$(date +%u).sem
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# bash ~/.sync_home/sync.sh
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#fi
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