Dear Dr Ross,
I have patched and re-compiled, however, the problem
still remains...
any other ideas?
Regards,
Yam
--- Ross Walker <ross.rosswalker.co.uk> wrote:
> 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
>
> /\
> \/
> |\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 |
>
> Note: Electronic Mail is not secure, has no
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>
>
>
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Received on Tue Nov 15 2005 - 04:53:01 PST
