CCL:G: Morphy98

 Sent to CCL by: "Mike  Devereux" [Michael.Devereux(!)unibas.ch]
 Hi Alex,
 I once did something similar. The Gamess output probably contains all the
 necessary information, but Morphy98 was written in Fortran77 so requires exactly
 the right Fortran formatting. This means there's perhaps an extra / missing
 space somewhere when compared to the Gaussian format. The other possibility is
 that the Gamess output doesn't include some piece of information such as orbital
 energy that is not required by AIMPAC, but expected by Morphy98. If you have
 time it should be an easy problem to fix by getting hold of a Guassian03 format
 .wfn file for comparison, then using a script to reformat the Gamess version
 slightly...
 Regards,
 Mike
 > "Alex Naden anaden:fsmail.net"  wrote:
 >
 > Sent to CCL by: "Alex  Naden" [anaden#,#fsmail.net]
 > Hi,
 >
 > I am currently trying to make Morphy98 to read the .wfn file generated by
 Gamess UK with 'aimpac' option.  On comparisson, the format of the obtained .wfn
 file corresponds to the Morphy98 .wfn test files with which there is no problem.
 However, when I try to use Gamess obtained .wfn files they seemed to be ignored
 by the programm. Does anyone know where I can be going wrong?
 >
 > Thank you,
 >
 > Alex
 >
 >