-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Friday 27 August 2004 17:19, Rajarshi Guha wrote: > I'm interested in using the output of a gamess frequency job to > animate vibrational modes. I'm using gamess (Sep 6, 2001, R5.x) and I > got a .dat file as well as output to the screen. When I try and load the > .dat file into Jmol (v10) I get an unrecognized file format error. > > Is this because my version of gamess is old? Or am I supposed to post > process the output file? Has anybody used gamess output for this > purpose?
Hi Rajarshi, it would be easiest for me in Miguel if you could send us (off-list) an example file, so that we can test this properly. Preferably one that we can distribute in CVS... Egon - -- [EMAIL PROTECTED] - --------------------------------------- CDK: http://cdk.sf.net/ JChemPaint: http://jchempaint.sf.net/ Jmol: http://www.jmol.org/ -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFBL1Wcd9R8I9Yza6YRAsTzAJ0RrKfB/u6xLyL9+cjzU8St8UivmwCgozFQ R1BdQg3pt7v+k5aRBgUq7CA= =wbto -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.Net email is sponsored by BEA Weblogic Workshop FREE Java Enterprise J2EE developer tools! Get your free copy of BEA WebLogic Workshop 8.1 today. http://ads.osdn.com/?ad_idP47&alloc_id808&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
