VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 19 2005 - 16:55:17 CDT
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- In reply to: Per Jr. Greisen: "Measuring distance during a trajectory"
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Per,
Here's a script for you:
set sel1 [atomselect top "all"]
$sel1 frame 0
set crds1 [$sel1 get {x y z}]
set sel2 [atomselect top "all"]
$sel2 frame 1
set crds2 [$sel2 get {x y z}]
set dists {}
foreach a $crds1 b $crds2 {
set diff [veclength [vecsub $a $b]]
lappend dists $diff
}
puts "dists: $dists"
John
On Tue, Oct 18, 2005 at 09:59:42PM +0200, Per Jr. Greisen wrote:
> Hey,
>
> Are there any scripts for VMD to calculate the distance between the atoms
> during different frames ?
>
> Thx
>
> --
> Best Regards
>
> Per Jr. Greisen
> +4528648657
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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