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

[Marek Maly]

Dear Espresso users,

I have 3 questions.

#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 ?



#2
Is in actual Espresso possible to set angle and dihedral parameters just  
using
particle types of bonded particles similarly like in atomistic forcefields  
are predefined these parameters
according to the atom types of the bonded triplet or quaternion of atoms ?

Let say that I have particles of type 0 and 1 in my system. It is possible  
to define "globally" angle parameters
for all the relevant  combinations of bonded particle types:

0-0-0, 0-0-1, 0-1-0 , 1-0-1, 1-1-1 (for angle parameter setting)

or

0-0-0-0, 0-0-0-1 ... (for dihedral parameters)


#3
Is there available exmple of Espresso calculation where the

analyze <rdf>

command is used to calculate radial distribution function averaged over
previously stored configurations ?

Is it really necessary to store configurations in files to calculate <rdf>.
I mean is it possible to calculate <rdf> during simulation from
let say last N loops of the INTEGRATE "for" cycle (of course without my  
own tcl coding).



Thank you very much for any relevant comment.

Best wishes,

     Marek