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

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