From: Anirban Ghosh (anirbang_at_cdac.in)
Date: Wed Aug 06 2008 - 05:04:27 CDT
Hi All,
I am trying to generate a Shape-based CG model of a protein with 456
residues through CG Builder plug-in of VMD. I tried with the default
parameters and 15 and 30 CG beads, twice. But I am getting the following
error every time:
atomsel: frame -1 out of range for molecule 1
atomsel: frame -1 out of range for molecule 1
while executing
"$sel writepdb $outAllAtom"
(procedure "::cgnetworking::writeAllAtomPdb" line 11)
invoked from within
"::cgnetworking::writeAllAtomPdb $outAllAtom $inMolId $a_nk "
(procedure "::cgnetworking::toNetworkingCG" line 273)
invoked from within
"::cgnetworking::toNetworkingCG $statusProc $inMolId $cgResName $cgPrefix
$outPDB $outAllAtom $outTop $outParm $numBeads $numSteps $epsInit
$epsFinal..."
(procedure "::cgnetworking::networkCGMolecule" line 14)
invoked from within
"::cgnetworking::networkCGMolecule ::cggui::addStatusLine
$::cggui::currentToCGMol $::cggui::toCGshapeResName
$::cggui::toCGshapeNamePrefix $::cggu..."
(procedure "::cggui::buildShapeCGExecute" line 119)
invoked from within
"::cggui::buildShapeCGExecute"
invoked from within
".cggui.toCGShapeFrame.applyDB invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 24)
invoked from within
"tk::ButtonUp .cggui.toCGShapeFrame.applyDB
"
(command bound to event)
How should I rectify this? Please suggest.
Regards,
-- Anirban Ghosh Grade Based Engineer SECG, Bioinformatics C-DAC, Pune India
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