Re: angle between 2 vectors as collective variable

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Mar 26 2015 - 09:58:26 CDT

Hello Vlad, it depends on how the two vectors are being calculated from,
e.g. as distance vectors between two positions or axes of rotation.

Giacomo

On Thu, Mar 26, 2015 at 10:17 AM, Vlad Cojocaru <
vlad.cojocaru_at_mpi-muenster.mpg.de> wrote:

> Dear all,
>
> This might be a trivial question but somehow I am not able to find an
> answer to it. Is it possible to define the angle between 2 vectors as
> collective variable within the COLVAR module ?
>
> Thanks for any tips
>
> Best wishes
> Vlad
>
> --
> Dr. Vlad Cojocaru
> Computational Structural Biology Laboratory
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/43241/cojocaru
>
>

-- 
Giacomo Fiorin
Assistant Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
Philadelphia, PA 19122-1801
Phone: +1-215-204-4213
https://icms.cst.temple.edu/members.html
http://giacomofiorin.github.io/

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