> Very briefly, the Gamess files contain everything in sectors > such as $SOMETHING ...stuff... $END > For grabbing the structure only the > $CONTROL COORD=ZMT | CART | ZMTMPC UNIT =(if not the default A) $END > files are interesting for Jmol, I think. There are a lot of other > combinations etc., but > they are too specific or complicated to deal with. > The actual coordinates are then in the $DATA......$END sector in the > format > specified > by the $CONTROL sector. > > To have the full description of the input visit > http://www.msg.ameslab.gov/GAMESS/GAMESS.html > and get the *input description* from the Gamess documentation
OK, it looks like to me that your gamess.txt files is an *input* file to GAMESS ... Jmol reads the GAMESS output, not the input. Can you run this file through gamess and see if Jmol can successfully read the output? Miguel ----- Open Source Molecular Visualization www.jmol.org [EMAIL PROTECTED] ----- ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_ide95&alloc_id396&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
