I'm currently trying to run MD on an equillibrated structure. My problem is
that I think that I need a VERLET_RESTART file to use the XV file from the
equilibrated structure, but all that I have is a NOSE_RESTART file. Can
anyone suggest a way to generate a VERLET_RESTART file from the NOSE_RESTART
file, or maybe just go from NVT to NVE using the same XV file?
Thanks in advanced.
Aaron
- [SIESTA-L] NVT to NVE P E LANDERVILLE III
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