Runscript for foldx

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Revision as of 22:20, 30 June 2011 by Reisinger (talk | contribs) (Created page with "'''runscript''' <br><br> <TITLE>FOLDX_runscript;<br> <JOBSTART>#;<br> <PDBS>#;<br> <BATCH>run.txt;<br> <COMMANDS>FOLDX_commandfile;<br> <Stability>list.txt;<br> <END>#;<br> <OPTI…")
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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>false;
<pdb_hydrogens>false;
<END>#;
<JOBEND>#;
<ENDFILE>#;