Santan William wrote:
Hi users,
I checked the mailing list and website, and didn't find any
information about metal or alloy MD simulation by Gromacs. Can GMX be
used to simulate metal or alloy melting and solidification?
Best regards,
William
Not likely since you would probably need more complicated potentials
than what is implemented in GMX, although you can use tabulated
potentials, but pair potentials only.
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Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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