VMD-L Mailing List
From: M SH (pausea_at_hotmail.com)
Date: Fri Apr 15 2005 - 13:31:45 CDT
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Hi,
I can get the coordinates of one atom like following:
set selp [atomselect top "name POT"]
set pxyz [$selp get {x y z}]
foreach {xp yp zp} $pxyz { break }
But I don't know how to load into a vector. I want to use vector operator to speed up my computation.
Also how can I store my sampling data from simulation steps? Can I just use global or do I have the write it into a file onto harddisk.
Thanks a lot!
Life is beautiful.
- Next message: Eugen Leitl: "Re: a question about get the coordinates in vector form"
- Previous message: Shahid Qamar: "Re: wrong bond and bond breaking"
- Next in thread: Eugen Leitl: "Re: a question about get the coordinates in vector form"
- Reply: Eugen Leitl: "Re: a question about get the coordinates in vector form"
- Reply: Axel Kohlmeyer: "Re: a question about get the coordinates in vector form"
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