On Sun, Aug 02, 2009, bharat lakhani wrote:
> When i am minimizing my system by sander.It showing error like
> following.what does it mean.what i have to do.
>
> Frac coord min, max: -923749.038795444 923750.106780641
> The system has extended beyond
> the extent of the virtual box.
Wow. Take a look at the system to see if you have really bad energies. It's
probably easiest to set ntb=0 and igb=6 (assuming you have a vacuum system).
That will avoid the virutal box problems, and allow to debug other possible
problems -- probably a bad starting configuration. Be sure to set ntpr=1 if
the problem occurs near the beginning of the run.
....dac
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Received on Wed Aug 19 2009 - 20:08:20 PDT
