From: snoze pa (snoze.pa_at_gmail.com)
Date: Wed Jun 01 2011 - 08:14:39 CDT
Yes, I am trying to pull them in same direction using same velocity and same
force constant. So you think I should use the center of mass coordinates
instead individual coordinate of atoms.
If yes, then I have to use center of mass coordinate as N terminal of the
molecule. Since center of mass is not an individual atom and it is a point
in space, so how it will effect the dynamics because it is not connected to
Thank you very much for your help.
On Fri, May 20, 2011 at 12:22 PM, Chris Harrison <charris5_at_gmail.com> wrote:
> It is possible to pull the center-of-mass of three atoms along the
> same vector.
> On Fri, May 20, 2011 at 11:32 AM, snoze pa <snoze.pa_at_gmail.com> wrote:
> > Dear NAMD users,
> > Is it possible to pull three atom at a time using SMD?
> > Thank you
> > S
> Chris Harrison, Ph.D.
> Theoretical and Computational Biophysics Group
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
> char_at_ks.uiuc.edu Voice: 217-244-1733
> http://www.ks.uiuc.edu/~char Fax: 217-244-6078
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