AMBER Archive (2003)

Subject: Re: AMBER: Odd Problem with PMEMD

From: Johannes Zuegg (J.Zuegg_at_griffith.edu.au)
Date: Mon Jul 21 2003 - 23:12:37 CDT


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_at_roswellpark.org>
Sent by: owner-amber_at_scripps.edu
22/07/2003 13:35
Please respond to amber

 
        To: <amber_at_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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