Difference between revisions of "NAMD to mol2"

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Latest revision as of 12:53, 25 February 2009


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cat <<EOFVMD> vmd.in
mol new ${file}_${system}.strip.solv.07md.psf
mol addfile ${file}_${system}.strip.solv.07_to_08md.dcd first $count last $count step 1 molid top
set rec [atomselect top "chain A B C" ]
\$rec writemol2 temp.rec.mol2
quit
EOFVMD
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/home3/bstrockb/vmd.bin/bin/vmd -dispdev text -e vmd.in >> vmd.out