Replica exchange

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1

Could anyone tell me if replica exchange is compatible with the GPU package? I'm having a hard time debugging this thing and restart2data is complaining that it can't write my cg/cmm/coul/long. If I knew what was going on here I would have a better idea how to get it running.

Luke Czapla

2

Could anyone tell me if replica exchange is compatible with the GPU package?

I can't answer this, but my guess would be yes

I'm having a hard time debugging this thing and restart2data is complaining that it can't write my cg/cmm/coul/long. If I knew what was going on here I would have a better idea how to get it running.

restart2data is depreciated. Try using the "write_data" command (from
within lammps), instead.

http://lammps.sandia.gov/doc/write_data.html

Cheers
Andrew