AMBER Archive (2006)

Subject: Re: AMBER: DNA tutorial xleap help

From: Wei Zhang (zweig_at_scripps.edu)
Date: Wed Feb 08 2006 - 13:42:32 CST


It is not your fault. It is a bug of leap, and has been reported by many
other users. It is a machine-dependent bug, and is hard to reproduce and
debug.

Try to use another machine, or operating system, or compiler. It may
solve your problem.

Sincerely,

Wei Zhang

On Wed, 2006-02-08 at 10:56 -0800, Amanda Jonsson wrote:
> I'm new to Amber8 (and Amber in general) and am trying the polyA-polyT DNA
> tutorial. Everything is fine until I get to the xleap command:
>
> addions model Na+ 0
>
> When I edit model -- I can see the ions were added in a straight line along
> the bottom, perpendicular to the DNA helix. This also messes up the next
> solvation step. I'm not sure what I'm doing wrong.
>
> I'm using:
>
> OS: Red Hat Linux release 9 (Shrike)
> Hardware: AMD Athlon(TM) XP 2200+
>
>
> Compile/configure flags
>
> Configured and compiled on a Athlon MP using pgf90 5.2-4
> OS: Red Hat Linux release 9 (Shrike)
>
> make clean
> ./configure -athlon pgf90
> vi config.h {change -0* to -fast and tp athlon to athlonxp
> make serial
> cd ../test/
> make test
>
>
> Thanks,
> Amanda
>
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-- 
Wei Zhang <zweig_at_scripps.edu>
The Scripps Research Institute

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