From: Sanket Avinash Deshmukh (sanketkumar007_at_gmail.com)
Date: Fri Dec 13 2013 - 00:42:25 CST
Dear VMD/NAMD Users,
I have recently started using the CG-builder in VMD to conduct biomolecule
simulations. I was successfully able to build CG model using RBCG model.
After running these CG-simulations I tried to convert the final
configuration back to all-atom model using "Reverse Previously RBCG Model
Back" method. However, I received following error:
vecsub: two vectors don't have the same size
vecsub: two vectors don't have the same size
while executing
"vecsub $cgcen $aacen"
(procedure "::cgtools::apply_reversal" line 33)
invoked from within
"::cgtools::apply_reversal $::cggui::currentFromCGMol $::cggui::revcgfile
$::cggui::currentFromCGAAMol $::cggui::fromCGoutpdbfile "
(procedure "::cggui::buildAAModelExecute" line 29)
invoked from within
"::cggui::buildAAModelExecute"
invoked from within
".cggui.fromCGFrame.applyDB invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 23)
invoked from within
"tk::ButtonUp .cggui.fromCGFrame.applyDB"
(command bound to event)
Which suggested that I am not using the reverse CG tool, the way I am
suppose to. I searched for this error message in the mailing list but I
could not find anyone listing this issue.
So, I tried the reverse CG tool with the "01-build-cg-model" tutorial that
comes with MARTINI tutorials for NAMD. I loaded both atomistic
(01-AA-lipoprotein) and coarse-grained models (01-CG-lipoprotein_autopsf)
in VMD. I used "01-CG-lipoprotein.rcg" Rev CG file. I used the psf file:
"01-CG-lipoprotein_autopsf.psf". I still received the same error (Please
see above).
Can anyone help me find what is that I am doing wrong? Any suggestion is
appreciated.
Thank you very much,
Sanket
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