From: Sindrila Dutta Banik (
Date: Tue Apr 23 2013 - 02:22:13 CDT

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".

How to do this, please help me.


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