Re: Force Vector Between Two Atoms

From: Ehsan Ban (ehsan.ban_at_gmail.com)
Date: Mon Oct 10 2011 - 01:19:55 CDT

Brian and Bruno,

Thank you both.
I modified the namdenergy.tcl file by commenting the body of the procedure
cleanup. Now, after the plugin runs I get the temporary files including the
log file of the run which contains the components of the force.

Thanks again
-Ehsan

2011/10/8 Bruno Luís Pinto de Oliveira <boliveira_at_itn.pt>

>
> Dear Ehsan,
>
> *You can use the NAMD energy plugin to compute non-bonded interaction **
> energies.*
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/namdenergy
>
> Regards
>
> Bruno
>
> > Hi,
> >
> >Would anyone know if there's a way to find the three components of the
> force vector between two atoms and > maybe find the contributions of the
> Van der Waals and electrostatic forces in that?
> >
> > Thank You
> > Ehsan
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:27 CST