On Tue, Apr 08, 2014, Urszula Uciechowska wrote:
>
> Flags:
> getting new box info from bottom of inpcrd
> | INFO: Old style inpcrd file read
>
> | peek_ewald_inpcrd: Box info found
> |Largest sphere to fit in unit cell has radius = 42.653
This is OK. Something bad happened later. Usual advice: set ntpr=1 and
nstlim=20. See if you get more information that will help resolve the
problem.
....dac
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Received on Tue Apr 08 2014 - 09:30:03 PDT
