Hi!
I'm simulating a system using pmemd.cuda.mpi.
However, halfway during the simulation when I looked at the .rstrt file, I noticed that some particles are moving outside the simulation box.
I'm new to Amber, having migrated from Gromacs :-).
Is this normal? Is there a command to translate the particles back into the box.
Regards,
Adam
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Received on Thu Mar 29 2012 - 17:30:03 PDT
