AMBER Archive (2005)

Subject: RE: AMBER: ew_legal.h

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Nov 14 2005 - 21:22:31 CST

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_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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