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shirleyahn / we_analysis_scripts Public

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we_analysis_scripts

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w_pdist.sh

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10 lines (9 loc) · 355 Bytes

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we_analysis_scripts

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w_pdist.sh

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10 lines (9 loc) · 355 Bytes

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iternum=600

w_pdist -W iter_${iternum}_west.h5

plothist average pdist.h5 "0::RBD COM" "1::RBD RMSD"

mv hist.pdf iter_${iternum}_pcoord_hist.pdf

plothist evolution pdist.h5 "0::RBD COM"

mv hist.pdf iter_${iternum}_com_hist.pdf

plothist evolution pdist.h5 "1::RBD RMSD"

mv hist.pdf iter_${iternum}_rmsd_hist.pdf

mv pdist.h5 iter_${iternum}_pcoord_pdist.h5

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