Re: [ESPResSo-users] Copying particles, what happens with the exclude data?

[Axel Arnold]

Hi Hender,

the command to read the exclusions is "part $p print exclusions", since 
there might be several ones. Also the "part $p" command prints the 
exclusions, among the rest. So for example:

% part 0 pos 0 0 0
% part 1 pos 1 0 0
% part 0 exclude 1
% part 0
0 pos 0.0 0.0 0.0 type 0 mass 1.0 q 0.0 v -0.0 -0.0 -0.0 f 0.0 0.0 0.0 
exclude 1
% part 0 pr exclusions
1

The script copy_particles copied all particle properties, include the 
exclusions, exactly as they are. That is, they are not fixed up like 
bonds, although they probably should be. I added some code to the git 
repo for fixing up the exclusions as well. If you don't want to get 
started with git, you can just copy the attached auxiliary.tcl to the 
scripts folder, and run make.

Cheers,
Axel


On 30.08.13 17:59, Hender Lopez wrote:
> Dear all,
>
> I am using the copy_particles command to make copies of a molecule.
> Now, my question is: when I copy the particles is the exclusion
> property also copied? Another question: is there any way I can get the
> exclusion information for a particle? part pid print exclude, doesn't
> work.
>
> Best,
>
> Hender


--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609

auxiliary.tcl
Description: Tcl script