Re: [ESPResSo] Bond Broken & NPT Simulations

[Axel Arnold]

On Thursday 19 November 2009 09:45:50 am Jacob Kirkensgaard wrote:
> Hi Olaf
>
> this is probably a stupid question, but how do you actually specify r_cut
> for the harmonic potential? From the documentation you can only specify the
> prefactor and the equlibrium bond length it seems. I use harmonic bonds  or
> FENE together with tabulated potentials where the cutoff is set by the
> maximal distance tabulated but does that influence the cutoff for the
> bonds? Is it set with the integrator or how?

Hi Jacob,

the cutoff is an optional third parameter of "inter x harmonic"; seems this is 
missing in the user's guide, it is just documented with the "inter x 
harmonic" command...

Many regards,
Axel

-- 
Dr. Axel Arnold
Schloss Birlinghoven
53754 St. Augustin, Germany
Tel. +49 2241 14 2575