VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Apr 23 2013 - 03:17:05 CDT

On Tue, Apr 23, 2013 at 9:22 AM, Sindrila Dutta Banik
<sindrila_at_iitk.ac.in> wrote:
> Dear all,
>
> I am able to compute the average position using the following command:
>
> set result [measure avpos $sel]
>
> it gives the average position, but i could not able to save this position
> in a output file as pdb formate.
>
> for this i use
>
> set file [open "myoutput.dat" w]
> write $result $file
>
> It gives "write is not logged in on file10".

yes! and rightfully so. "write" is not a Tcl command (but a shell
command that would write a text on some other users' tty)

> How to do this, please help me.

this is not how file i/o in Tcl works. there is an excellent Tcl tutorial here:
http://www.tcl.tk/man/tcl8.5/tutorial/tcltutorial.html

axel.

>
> Sindrila
> --
> Sindrila Dutta Banik
> C/O Prof. A. Chandra
> Project Scientist
> Department of Chemistry
> IIT Kanpur
> UP 208016 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.