Dear Yam,
> 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
> This is outside the legal range
> Lower limit: 0.30000E+02 Upper limit: 0.15000E+03
> Check ew_legal.h
>
> Anyone know what could be the problem? I have set
> ntb=0.
Check that you have applied bugfix.50
(
http://amber.scripps.edu/bugfixes/8.0/bugfix.50) for amber8. This may fix
the problem.
All the best
Ross
/\
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Tue Nov 15 2005 - 03:53:01 PST
