On Tue, Jun 24, 2014 at 8:31 PM, S Arun Srikant Sridhar <ss3...@drexel.edu> wrote: > Can some body please tell me whether avagadro can create lammps input data > file > It cannot at this time - I have been looking into LAMMPS, and how we might produce input for MD codes in general but we don't have anything working yet (that I am aware of at least). I did add some support for XYZ trajectories, GROMACS files, and am hoping to add some more in the future but this has mainly been limited to the output from MD codes.
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