[gmx-users] shell MD

[Marcin Wojdyr]

I was trying to find in manual how to use shell model, but there is
only section about algorithm (3.5) and about mtol and niter parameters 
(7.3.6).
The algorithms requires value of k_b, where should I put it?
In sw.itp I see sections [ polarization ] and [ water_polarization ],
but I can't guess, what is the meaning of all parameters.


And another question: what means pbc=full? (in manual sec. 7.3.8
only xyz and no options are listed).

Thanks in advance,
Marcin

-- 
Marcin Wojdyr  |  http://www.unipress.waw.pl/~wojdyr/