[gmx-users] MD of crystal

[Nicolas Bock]

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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070214/c7388fe4/attachment.html>