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 used the atomic
point dipole model but this one is not implemented in Gromacs (please
correct me if I am wrong). Are there any experienced data which compare
the two models, atomic point dipole and shell??
Kind regards,
Volker
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Volker Lesch
Institut für physikalische Chemie
Westfälische Wilhelms-Universität Münster
Corrensstrasse 28/30
48149 Münster
Phone: +49-(0)-251-83-29180
Email: [email protected]
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