VMD-L Mailing List

From: Frank Zack (frankzack123_at_REMOVE_yahoo.de)
Date: Sun Oct 11 2015 - 09:07:29 CDT

Hi all,im trying to write a quickndirty coarse-graining script using vmd.My code looks similar to:
set mol [mol new atoms 1]set sel [atomselect 1 all]set newpos [list [list 1.0 1.0 1.0]]$sel set {x y z} $newpos
Unfortunately, the assignment of new coordinates is not permanent, as
$sel get {x y z}
returns
{0.0 0.0 0.0}
What am I doing wrong? How can I create new particles?
Thank you for any advice,
regards,frank.