Runscript for foldx

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Revision as of 16:11, 1 July 2011 by Reisinger (talk | contribs)

runscript

<TITLE>FOLDX_runscript;
<JOBSTART>#;
<PDBS>#;
<BATCH>run.txt;
<COMMANDS>FOLDX_commandfile;
<Stability>list.txt;
<END>#;
<OPTIONS>FOLDX_optionfile;
<Temperature>298;
<R>#;
<pH>5.5;
<IonStrength>0.050;
<water>-CRYSTAL;
<metal>-CRYSTAL;
<VdWDesign>2;
<OutPDB>true;
<pdb_hydrogens>false;
<END>#;
<JOBEND>#;
<ENDFILE>#;