Re: [ESPResSo-users] example object-in-fluid.tcl

[Axel Arnold]

Hi!

vsf is only the structure information, and does not contain positions. 
The vtf format actually specifies three file types:

vsf - structure only
vcf - coordinates only
vtf - both together

If the file is called simEspresso.vsf, I would not expect coordinates in 
it, there should be some separate .vcf file. However, if an IMD 
connection to VMD is to be used, a .vsf file would be written to setup 
up the topology, and then VMD would need to connect to Espresso to get 
the coordinates, using its imd command.

Cheers,
Axel

On 31.01.14 10:39, Markus Gusenbauer wrote:
> Hi Marco,
>
> is it a problem of ESPResSo or VMD? Where exactly does the problem 
> occur? Can you post the output!
>
> Markus
>
> PS: Don't forget to add address@hidden to the adresses!
>
>
> On 30.01.2014 16:26, Marco Dallavalle wrote:
> > Dear Dr. Gusenbauer,
> >
> > thank you for your quick reply. The version I'm using should be the 
> > latest, Espresso 3.2.0.
> >
> > I was indeed missing a key in the myconfig.h file. Still it's not 
> > possible to visualize the result. The simEspresso.vsf file that has 
> > been generated seems incomplete with respect to the standard vtf 
> > format -> https://github.com/olenz/vtfplugin/wiki/Example-VTF-file  
> > After the bonds are defined, no coordinates are printed.
> >
> > Sincerely, Marco Dallavalle.
> >
> > P.s. I subscribed to the mailing list.
> > ________________________________________
> > From: Markus Gusenbauer address@hidden
> > Sent: Monday, January 27, 2014 11:26 AM
> > To: Marco Dallavalle; address@hidden
> > Subject: Re: example object-in-fluid.tcl
> >
> > Hi Marco,
> >
> > please subscribe to the official mailing list
> > (https://lists.nongnu.org/mailman/listinfo/espressomd-users). Maybe
> > someone else can use the information or can reply to your question.
> > address@hidden
> >
> >
> > Which version of ESPResSo do you use? For object-in-fluid.tcl you need
> >
> > MASS, LB or LB_GPU, LB_BOUNDARIES or LB_BOUNDARIES_GPU,
> > AREA_FORCE_GLOBAL and VOLUME_FORCE
> >
> > in myconfig.h.
> >
> > Best wishes,
> > Markus
> >
> >
> >
> >
> > On 01/23/2014 05:09 PM, Marco Dallavalle wrote:
> > > Dear Dr. Gusenbauer,
> > >
> > > as a new user of the ESPResSo software I got interested in your 
> > > object-in-fluid implementation.
> > >
> > > I started going through the example object-in-fluid.tcl provided in 
> > > the samples directory. Unfortunately some error occurs and the 
> > > simulation gets stuck at the "add_oif_object" instruction. (I did 
> > > not changed the tcl file, nor the input directory. The last lines it 
> > > prints is "generating global area force bonds".) Could it be, that 
> > > I'm not using the proper features in the myconfig.h file?
> > >
> > > Thank you in advance for any help you might be able to provide.
> > >
> > > Sincerely, Marco Dallavalle.
> > >
> > > PhD student - Università di Bologna


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