Difference between revisions of "Amber to mol2 (protein)"

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Revision as of 12:44, 25 February 2009

Use Sudipto's perl script

set scriptdir  = "home/goyal/RCR/projects_BNL/flu/zzz.scripts.amber
${scriptdir}/zzz.leap2mol2.perl ${system}.rec.gas.min.rst ${system}.rec.gas.leap.parm ${system}.rec.min.mol2  >> ${system}.report.txt