From: Atanu Maity (atanuchem48_at_gmail.com)
Date: Fri Nov 01 2013 - 01:43:09 CDT
Dear NAMD users,
I want to run a 'constant velocity pulling' steered molecular
dynamics for which i want a dummy atom to be used as fixedatom. I am facing
problem in creating this dummy atom.
I am using the following script to type in TkConsole of VMD --
mol new atoms 1
set sel [atomselect top all]
$sel set radius 5.0
$sel set {x y z} {2.0 3.0 4.0 }
But it is giving the error
"atomselect: set: 3 data items doesn't match 1 selected atoms."
while trying
$sel set {x y z} {{2.0 3.0 4.0}} , it gioves no error.
But
$sel get {x y z} is printing
{0.0 0.0 0.0}
I hope this is one way to create a dummy atom. Please help me to sort out
the problem and/or suggest if there is any other way to do so.
Thanks,
Atanu
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