[gmx-users] Problem to simulate silica melts and amorphous silica with BKS potentials

Hello again. It's pretty clear now for me thanks. I still have a little problem due to the unphysical trend of the BKS potentials for r --> 0 : it goes to minus infinity. The atoms can thus collide in case of a high temperature (providing them enough velocity to overcome the barrier) and I get the

Re: [gmx-users] Problem to simulate silica melts and amorphous silica with BKS potentials

David Waroquiers wrote: Hello I'm trying to simulate amorphous SiO2 with the use of the BKS potentials (van Beest, B. W. H.; Kramer, G. J. & van Santen, R. A. - Phys. Rev. Lett., American Physical Society, 1990, 64, 1955-1958). According to these potentials, I should use the Buckingham potentia

[gmx-users] Problem to simulate silica melts and amorphous silica with BKS potentials

Hello I'm trying to simulate amorphous SiO2 with the use of the BKS potentials (van Beest, B. W. H.; Kramer, G. J. & van Santen, R. A. - Phys. Rev. Lett., American Physical Society, 1990, 64, 1955-1958). According to these potentials, I should use the Buckingham potentials with user-defined param