On Wed, Jul 02, 2008, Andreas Svrcek-Seiler wrote:
> 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");
fixed in CVS.
>
> (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)
These are old files, don't seem(?) to be needed: removed from CVS.
...dac
Received on Sun Jul 06 2008 - 06:07:18 PDT
