NPT ensemble restart, put in new basis vectors?

From: Edward Patrick Obrien (
Date: Sun Apr 25 2004 - 13:19:21 CDT

Hi all,
   When continuing an NPT ensemble run must you modify the
cellbasisvectors, in the namd configuration file, to reflect
the changes that occured in this parameter from the previous run?

   That is, do I need to put the new basis vectors into the configuration
file because the cell volume has changed over the course of the previous
NPT run?


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