Re: [gmx-users] Polarisation model

On 11/07/2012 11:19 AM, David van der Spoel wrote: On 2012-11-07 10:21, Volker Lesch wrote: Dear all, I am a new Gromacs user. In the past I used AMBER, but because of performance and technical reason I want to switch to Gromacs. Actually, I have one big problem namely polarisation. In AMBER I

[gmx-users] Polarisation model

correct me if I am wrong). Are there any experienced data which compare the two models, atomic point dipole and shell?? Kind regards, Volker -- Volker Lesch Institut für physikalische Chemie Westfälische Wilhelms-Universität Münster Corrensstrasse 28/30 48149 Münster Phone: +49-(0)-251-83-29180