On Mon, May 05, 2003, tang kwa wrote:
>
> I changed an input to igb = 0 :
> &cntrl
> imin = 1, maxcyc = 500, ntpr = 25,
> igb = 0, ntb = 0, cut = 10.0,
> &end
>
> The output shows that
>
> 1. RESOURCE USE:
>
>
> EWALD SPECIFIC INPUT:
>
> -------------------------------------------------
> NO EWALD INPUT FOUND: USING DEFAULTS
> -------------------------------------------------
> Largest sphere to fit in unit cell has radius = 0.000
>
What version of amber are you using? Sounds like maybe version 6? Then
you would not use igb=0 to get a "vacuum" minimization....
...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
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La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Mon May 05 2003 - 17:53:01 PDT
