>Bill wrote:
>I wonder if you are accidentally naming a wrong .rst file and
>thus discarding the constant pressure phase. Or are you going
>back to constant volume before constant pressure has shrunk
>the box enough?
Well I am really careful not to do the first mistake.
I noticed these voids even before running the equilibration phase
with constant pressure. After minimization steps, constant volume heating
phase gives this problem.
thanks,
Senthil
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Received on Mon May 17 2010 - 11:00:03 PDT
