Re: [gmx-users] Including polarizability by a Drude oscillator or the shell model

On 2013-04-27 19:18, Andrew DeYoung wrote: Hi, I am interested in including polarizability using a Drude harmonic oscillator (charge on a spring). In section 3.5 of the version 4.5.4 manual, Shell molecular dynamics is described briefly. It seems that the shell model is quite similar, if not

[gmx-users] Including polarizability by a Drude oscillator or the shell model

Hi, I am interested in including polarizability using a Drude harmonic oscillator (charge on a spring). In section 3.5 of the version 4.5.4 manual, Shell molecular dynamics is described briefly. It seems that the shell model is quite similar, if not identical, to the Drude oscillator. However,