From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Sep 05 2014 - 01:32:29 CDT
Hi, thanks for answering.
I want to implement some kind of special boundary condition. I've
implemented all the stuff already like the SpericalBC. But now from within
the doForce() I need to measure distances to atoms which are in another
patch. Any idea?
Norman Geist.
> -----Ursprüngliche Nachricht-----
> Von: Jim Phillips [mailto:jim_at_ks.uiuc.edu]
> Gesendet: Donnerstag, 4. September 2014 18:26
> An: Norman Geist
> Cc: Namd Mailing List
> Betreff: Re: namd-l: Question to NAMD source
>
>
> You don't. The coordinates of all atoms are generally not available to
> a
> single node. What are you trying to do? There may be a better way.
>
> Jim
>
>
> On Thu, 4 Sep 2014, Norman Geist wrote:
>
> > Hey experts,
> >
> >
> >
> > how would I access ALL atoms coordinates not only current patch from
> within
> > f.i. ComputeSphericalBC::do_force ??
> >
> >
> >
> > Thanks
> >
> >
> >
> > ---
> > Diese E-Mail ist frei von Viren und Malware, denn der avast!
> Antivirus Schutz ist aktiv.
> > http://www.avast.com
> >
--- Diese E-Mail ist frei von Viren und Malware, denn der avast! Antivirus Schutz ist aktiv. http://www.avast.com
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:21:12 CST