From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Tue Feb 18 2020 - 10:59:21 CST

Hi,

Thanks for the reply, I am able to read the data and checked that the
selection and it is not empty, I think the problem is in the *moveby*
command which does not take *$variable. * Is that the problem? If so, Is
there any other approach for this.

Thank you.

On Tue, Feb 18, 2020 at 10:16 PM Joaquim Rui de Castro Rodrigues <
joaquim.rodrigues_at_ipleiria.pt> wrote:

> Hi,
>
> Start by inserting some puts commands before entering the foreach loop, to
> be sure that you are reading data correctly:
> puts $frx
> puts $fry
> puts $frz
> Dont' forget to close the file after reading. Also, check that you
> selection is not empty:
> puts [$index num]
> and finally, in your last line, you probably want to increase the counter
> k, and not the selection $index.
>
> HTH,
> Rui Rodrigues
>
>
>
> ________________________________________
> De: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> em nome de Adupa
> Vasista <adupavasista_at_gmail.com>
> Enviado: 18 de fevereiro de 2020 15:32
> Para: vmd-l_at_ks.uiuc.edu
> Assunto: vmd-l: atomselect moveby: non-numeric in vector
>
> Dear VMD users,
>
> I have a system where I need to randomly distribute the molecules in the
> simulation box with some constraints. I got the coordinates from MATLAB and
> saved it as a dat file. Further I loaded the system and the molecules
> separately (indexed from 1 to 100). i need to randomly place these
> molecules according to the dat file coordinates.
>
> I loaded the dat file using
>
> set fpx [open "x.dat" r]
> set frx [read $fpx]
> set fpy [open "y.dat" r]
> set fry [read $fpy]
> set fpz [open "z.dat" r]
> set frz [read $fpz]
>
> then I used foreach loop
>
> set k 1
> foreach x $frx y $fry z $frz {
> set index [atomselect $k all]
> $index moveby {$x $y $z}
> incr $index 1
> }
>
> But I am having an error in moveby command.
>
> atomselect moveby: non-numeric in vector
>
> Is there any workaround for this?
>
> Please let me know.
>
> Thank you.
>

-- 
*A.VasistaM.Tech,Department Of Chemical Engineering,*
*IIT Guwahati.*