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From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Wed Oct 18 2006 - 12:35:14 CDT
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Dear vmd users,
I am trying to retrieve the center of mass of a residue during a
trajectory. However, the script below will give me only the CoM for the
last frame. Is there a way to modify this script such as to retrieve the
CoM for each frame?
Thanks
Best
vlad
set numframes [molinfo 0 get numframes]
for {set frame 0} {${frame} < ${numframes}} {incr frame} {
set ref [atomselect 0 "resid ${resid_ref}" frame ${frame}]
set com_ref [measure center ${ref} weight mass]
}
-- Dr. Vlad Cojocaru EML Research gGmbH Molecular and Cellular Modeling Group Schloss-Wolfsbrunnenweg 33 69118 Heidelberg, Germany Phone: +49-6221-533266 Fax: +49-6221-533298 e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de http://projects.villa-bosch.de/mcm/people/cojocaru/
- Next message: John Stone: "Re: retrieving the center of mass for each frame of trajectory"
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- Reply: John Stone: "Re: retrieving the center of mass for each frame of trajectory"
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