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JonasR/run.txt

Created June 22, 2012 00:55
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FoldX runfile
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run.txt
<TITLE>FOLDX_runscript;
<JOBSTART>#;
<PDBS>#;
<BATCH>list.txt;
<COMMANDS>FOLDX_commandfile;
<BuildModel>#,individual_list.txt;
<END>#;
<OPTIONS>FOLDX_optionfile;
<Temperature>298;
<R>#;
<pH>7;
<IonStrength>0.050;
<water>-CRYSTAL;
<metal>-CRYSTAL;
<VdWDesign>2;
<OutPDB>true;
<pdb_hydrogens>false;
<complex_with_DNA> false;
<END>#;
<JOBEND>#;
<ENDFILE>#;
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JonasR commented Jun 22, 2012

list.txt = '2gjxA_secondD_repaired.pdb'
individual_list.txt: https://gist.github.com/2969614

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