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Message 388: error - npt incompatible with multiple timestep

The use of NPT (constant pressure) and temperature is not compatible with the multiple timestep option.

Action:
Simulation must be run at fixed volume in this case. But note it may be possible to use NPT without the multiple timestep, in ourder to estimate the required system volume, then switch back to multiple timestep and NVT dynamics at the required volume.



W Smith 2003-05-12