On Tue, 2004-08-31 at 14:05, Miguel wrote: > Rajarshi, > > I just checked in the code to support gamess output. It does not do > anything with charges ... it only supports atom positions and force > vectors. > > Warning! It has only been tested on the water.out file that you sent me. > Please let me know if people encounter problems with other output files, > or with output from other versions of gamess.
Thanks a lot. I'll check it out with some more molecules. ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Eureka! -- Archimedes ------------------------------------------------------- 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_id=5047&alloc_id=10808&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
