On Mon, Nov 14, 2005, Yam wrote:
>
> Hello. I encounter this problem when I tried to run MD
> in vacuo.
>
> Ewald PARAMETER RANGE CHECKING:
> parameter alpha: (unit cell angle) has value
> 0.16503-263
We need more information about how you set things up. There are several
examples of vacuum calculations in the Amber test suite, especially
in $AMBERHOME/test/nonper. You might see what the differences are between
those runs and the ones you are trying.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Nov 15 2005 - 05:53:00 PST
