The problem diagnosis and recommended fix by Johannes is exactly correct.
Thanks - Bob Duke
----- Original Message -----
From: "Johannes Zuegg" <J.Zuegg.griffith.edu.au>
To: <amber.scripps.edu>
Sent: Tuesday, July 22, 2003 12:12 AM
Subject: Re: AMBER: Odd Problem with PMEMD
> Hi,
>
> Following pmemd3.00ReleaseNote, pmemd does NOT read Amber7 "new" prmtop
> format. You have to convert the "new" format into "old":
> new2oldparm < new.top > old.top
> And then it should run fine (at least id does on my system)
>
> Cheers
> Johannes
>
>
>
>
>
> "Chen, Ya" <ya.chen.roswellpark.org>
> Sent by: owner-amber.scripps.edu
> 22/07/2003 13:35
> Please respond to amber
>
>
> To: <amber.scripps.edu>
> cc:
> Subject: AMBER: Odd Problem with PMEMD
>
>
> Hi,
>
> I have compiled PMEMD3 using ifc7.1 on my RedHat9. But PMEMD always stops
> at the beginning and complains about the character '%' in my .prmtop
> files. The files were prepared with LEaP of Amber7 and ff99.
> I have tried it in bash and tcsh. Neither one works.
>
> Chen
>
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Received on Tue Jul 22 2003 - 12:53:01 PDT
