Hi all,
inside ${AMBERHOME}/benchmarks/nab,
(1)
"gbrna.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)
gcn4_nr.nab 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.
best,
Andreas
Received on Sun Jul 06 2008 - 06:07:10 PDT
