[gmx-users] MD of crystal

Nicolas Bock nbock at lanl.gov
Wed Feb 14 20:41:50 CET 2007

Hello list,

I would like to run an MD simulation to simulate the melting of a
metallic crystal. Can this be relatively simply done in GROMACS? I have
the pair potential between the ions and ion configurations I would like
to start with. I tried to work my way through the GROMACS manual but I
am having a hard time understanding how to set something like this up.
Could someone point me in the right direction, please?

Thanks, nick

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