RE: AMBER: ew_legal.h

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 14 Nov 2005 19:22:31 -0800

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 |
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Received on Tue Nov 15 2005 - 03:53:01 PST
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