[ESPResSo-users] Tabulated angle potential in Espresso

[Javier Ramos]

Dear Espresso users,

I am trying to use a tabulated angle potential (variant 2 in the section 
5.3.7 of the user guide). I have two questions.

    i) Does the angle potetial zero corresponds to the polymer is this 
position: (p1)-(p2)-(p3)?
   ii) It is not clear for me which is the scaled length that I need to 
use for the forces. Following the explanation in the non-bonded 
tabulated potential I am assuming that the second column has to be built 
as F(theta) = - Vprime(theta) / theta where Vprime is the derivate of 
V(theta) respect to theta and theta is the angle between p1,p2 and p3 
particles. is that right?

Best regards,
Javi

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Dr. Javier Ramos
Molecular Structure and Properties of Polymers
Department of Macromolecular Physics
Instituto de Estructura de la Materia (CSIC)
C/ Serrano 113 bis 28006 Madrid (Spain)
Voice +34 91 561 68 00 (943112)
Fax +34 91 585 54 13
http://www.biophym.iem.csic.es/biophym
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