[gmx-users] simulating glass materials using GROMACS

Alex Mathew alexmathewmd at gmail.com
Sat Oct 12 21:03:20 CEST 2019


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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