[gmx-users] Shell molecular dynamics

[Martin Mucha]

Hi all,

I would like to use polarizability model in my simulations, 
but I do not know how. There are several paragraphs about the topic in the 
manual, however
I did not find any mention about how to actually tell gromacs that I am using 
the shell model, e.g. How to set up topology, mdp and gro files. I would be 
grateful for any idea, or sample input files of a working shell MD.

  Martin Mucha


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