VMD-L Mailing List

From: Mr Bernard Ramos (bgrquantum_at_yahoo.com)
Date: Fri Mar 30 2012 - 12:16:00 CDT

Hi everyone! I would like to have a text file output for the x,y,z-coordinates of my system for each frame arranged neatly in five columns. The first column will be the frame number, the second will be the atom ID number, and the x-y-z coordinates will follow next.   I tried typing in what follows, but it does not work set frm [molinfo top get numframes] set sel [atomselect top "oxygen and within 4 of (serial 3 13 14 15 5 8 33 20 21 22)"] set fout [open Coords.txt w] for {set i 0} {$i<$frm} {incr i} { $sel get {resname resid x y z} } close $fout The resulting text file does not contain anything and I don't get any error message in TkConsole. Please help. I am very new to using the Console. Thanks, Bernard