From: wliu (wliu_at_itcs.ecnu.edu.cn)
Date: Sun Oct 18 2015 - 07:52:11 CDT
Dear all,
I have 180 PSF and 180 PDB files which has same chain name but different
coordinates. I need to merge these 180 PSF files into one. And I write a
tcl script as
package require topotools 1.0
set midlist {}
set mol [mol new 1tcl.psf waitfor all]
mol addfile 1tcl.pdb
lappend midlist $mol]
.
.
.
set mol [mol new 180tcl.psf waitfor all]
mol addfile 180tcl.pdb
lappend midlist $mol]
set mol [::TopoTools::mergemols $midlist]
animate write psf merge.psf $mol
animate write pdb merge.pdb $mol
But when I run this script with VMD, I saw an error as
> Main< (TclPsfGen) 37 % source MergePSF.tcl
-error molecule id 1] does not exist.
Then I checked and I found when VMD run the command 'set mol
[::TopoTools::mergemols $midlist]', it turns out to have this error. So
my question is, why I got this error? How to fix it and get a right
merged psf file?
I would very much appreciate for the helps!
Liu Wei
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