[gmx-users] simulating glass materials using GROMACS

paul buscemi pbuscemi at q.com
Sat Oct 12 21:22:29 CEST 2019


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Paul

> On Oct 12, 2019, at 2:03 PM, Alex Mathew <alexmathewmd at gmail.com> wrote:
> 
> Dear experts,
> I would like to simulate NASICON type glass using GROMACS. The paper I
> referred to here used LAMPP (https://pubs.acs.org/doi/abs/10.1021/jp5094349).
> How should I proceed for this kind of study with GROMACS?
> What kind of forcefield I can use in GROMACS? can anyone provide a starting
> point towards the simulation of materials using gromacs? (All the tutorials
> are devoted towards biological molecules).
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