Re: [ESPResSo] Creation of Rigid Structures in Espresso

[Lorenzo Isella]

Markus Deserno wrote:
> Dear Lorenzo,
>
> In 2005 Horacio Tapia-McClung and Niels Grønbech-Jensen have
> proposed a new algorithm for creating constraints such as the
> ones you're looking for.  The algorithm is described here:
>
>     http://dx.doi.org/10.1002/polb.20383
>
> Maybe you feel like implementing this into ESPResSo?
>
> Best,
>
> Markus
>
>   
Hello,
And thanks for the many replies.
I'll had a look at the paper, but now time is against me.
However, I managed to create stiff chains by combining a tabulated 
radial potential (simply a narrow potential well) plus a bond angle 
interaction.
The resulting structure can be considered an acceptable approximation of 
the rigid chain I was looking for.
Thanks for the suggestions.
Cheers

Lorenzo