[ESPResSo] Fwd: Re: Visualisation of MD trajectories - assigning of angle and dihedral parameters - rdf over more configs ?

[Marek Maly]

Hi Olaf,

thanks for your prompt reply !

Of course that I provided sample VTF trajctory file (it is Espresso logo),
everything is written in the relevant mailing thread which you probably
didn't read all. At the end of this thread is also confirmation of
problems which I
pointed out from Ajasja Ljubetic.

Regarding to me I am OK, having MAC BookPro where everything works
perfectly.

The different thing is if you have students with their laptops having from

cca 85% installed Windows :))

Best,

     Marek




Dne Tue, 06 Apr 2010 08:32:42 +0200 Olaf Lenz <address@hidden>
napsal/-a:

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> Hi!
>
> On 04/06/2010 12:48 AM, Marek Maly wrote:
> > #1
> > Currently there are problems with the visualisation of VTF trajectories
> > using VMD under
> > some Windows versions. Please see this thread:
> > http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/15575.html
> >
> > So I would like to know, if there is any other possibility how to
> > visualise MD trajectory from Espresso calculation ?
>
> As I already wrote on the VMD mailinglist: I cannot debug on Windows, so
> I can't help you about the VTF files. John Stone proposed to help you
> debugging if you sent him an example VTF file that crashed: did you do  
> that?
>
> You can also use PDB and PSF files, however these are less comfortable.
> Just look into ESPResSo's users guide how to do that.
>
> Why do you need to visualize on Windows on the first hand? Apparently
> you seem to have a Unix machine at hand, as you are able to run
> ESPResSo. Why don't you run VMD there?
>
> About the other questions I can't help you right now.
>
> Olaf
>
> - --
> A: Because it messes up the order in which people normally read text.
> Q: Why is top-posting such a bad thing?
> A: Top-posting.
> Q: What is the most annoying thing in e-mail?
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