Reverse Coarse Graining using VMD CG Builder

From: Ardavan Mehdizadeh (
Date: Wed Oct 21 2015 - 03:15:35 CDT

   Dear NAMD users, Hi
I have a coarse grained SMD simulation result which contain a Peptide,
Lipid bi-layer solved in a water box. At first, I used VMD CG Builder to
create RBCG Molde of Lipid bi-layer and a Peptide separately then I merged
them () and solved in a water box; Meaning I have 2 RCG file (one for
Peptide another for Lipid bi-layer).
After a SMD run, I tried to change one frame of DCD file (which saved as a
pdb file) to All Atom again using Reverse Residue-Based CG (VMD).
There is no problem for Peptide, but I get an error for Lipid bi-layer
which is written below. I really need someone to help me with that and I
deeply appreciate your help.


*E**rror: vescsub: 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 38)
    invoked from within
"::cgtools::apply_reversal $::cggui::currentFromCGMol $::cggui::revcgfile
 $::cggui::currentFromCGAAMol $::cggui::fromCGoutpdbfile
    (procedure "::cggui::buildAAModelExecute" line 29)
    invoked from within
    invoked from within
".cggui.fromCGFrame.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.fromCGFrame.applyDB"
    (command bound to event)

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