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 - 05:53:01 PDT
