Re: amber-developers: third (and final?) candidate for AmberTools version 1.1

From: Andreas Svrcek-Seiler <>
Date: Wed, 2 Jul 2008 15:43:27 +0200 (CEST)

Hi all,
inside ${AMBERHOME}/benchmarks/nab,

"" tries to load
m = getpdb("../test/gbrna.pdb");
but this file does not exist.
easiest solution:
change the respective lines to

m = getpdb("../../test/nab/gbrna.pdb");
readparm(m, "../../test/nab/gbrna.prmtop");

I just tried to submit this to cvs, but my karma is insufficient (really):
**** Access denied: Insufficient Karma (svrci|amber11/benchmarks/nab)
cvs server: Pre-commit check failed
cvs [server aborted]: correct above errors first!

(2) contains the line
m = getpdb_prm(argv[2], "leaprc.ff94", "", 0);
and then leaprc.ff94 is not found (since ${AMBERHOME}/dat/leap/cmd/oldff
is not added to the include path)

...everything else seems to work.

Received on Sun Jul 06 2008 - 06:07:10 PDT
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