VMD-L Mailing List
From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Wed Jan 02 2019 - 14:46:56 CST
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Hi Steve,
Without knowing what "distance.tcl" has in it, it is impossible to say for
sure what is the problem. I would bet that the proc distance is expecting a
selection text, rather than an atom selection id. If this is not the case,
please provide the content of the distance.tcl file.
Best
Joao
On Wed, Jan 2, 2019 at 1:44 PM Seibold, Steve Allan <stevesei_at_ku.edu> wrote:
> Hello
>
> I think this is a simple problem, but I can’t seem to fix it…
>
>
>
> I have loaded into vmd my psf file and the accompanying dcd file.
>
>
>
> Then, using the TkConsole,:
>
> >set sel1 [atomselect top “protein and resid 450”]
>
> >atomselect0
>
> >set sel2 [atomselect top “protein and resid 471”]
>
> >atomselect1
>
> >source distance.tcl
>
> >distance $sel1 $sel2 10 test-r.dat test-d.dat
>
> Atomselect: cannot parse selection text : atomselect0
>
> >$sel1 get resname
>
> GLY GLY GLY GLY GLY GLY GLY GLY GLY
>
>
>
> GLY is the first three residues of the peptide…450, 451, 452…
>
>
>
> Can someone tell me what I am doing incorrectly?
>
>
>
> Thanks, Steve
>
-- ……………………………………………………... João Vieira Ribeiro Theoretical and Computational Biophysics Group Beckman Institute, University of Illinois http://www.ks.uiuc.edu/~jribeiro/ jribeiro_at_ks.uiuc.edu +1 (217) 3005851
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