Hi Rick,
I took a quick look at the files you attached. In neither case is the
resolver able to determine the type of file, i.e., it isn't able to
figure out that it is a Gaussian file. The resolver expects to see the
string "Entering Gaussian System" early on. In neither of your files
that was there, which is peculiar because I understand that Gaussian
really should do that.
So to make these files work I did:
In the acetone.g03.out:
replace the first line:
Entering Link 1 = c:\G03W\l1.exe PID= 2100.
with
Entering Gaussian System
For the acetone.g98.out:
remove the first 5 lines (up to the empty line):
g98: /tmp/osu4011 does not exist.
g98: /tmp/osu4011 will be created now.
g98: Please acquiaint yourself with the policy concerning
g98: management of /tmp, e.g., readme News
Entering Gaussian System, Link 0=/usr/local/g98a.11.3/g98/exe/g98.exe
so that it starts with the Entering Gaussian.....
(Note that this particular one seems to have some error messages before
the proper output is there, while the other one did not start with the
proper output...)
Cheers,
René
On Jul 8, 2005, at 9:23 AM, Richard Spinney wrote:
I have been experimenting with Jmol for doing vibration animations. I
have
two files from Gaussian 98 and 03W (Gaussian 03 for Windows) that I can
not get to load. The g98 file gives an error message of "unrecognized
file
format" and the g03 file "no atoms in file". I have attached both
files,
and the page I am using to test it is at:
http://undergrad-ed.chemistry.ohio-state.edu/jmol-tests/acetone-
jmol.html.
I can load the xyz (acetone.xyz) file successfully so the applet is
loading
correctly. Any ideas what may be wrong?
Thanks, Rick
<acetone.g03.out><acetone.g98.out>
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