CCL:G: problem with degrees of freedom
- From: "asmaa El-meligy"
<asmaaphys(!)yahoo.com>
- Subject: CCL:G: problem with degrees of freedom
- Date: Wed, 28 Mar 2012 15:02:21 -0400
Sent to CCL by: "asmaa El-meligy" [asmaaphys*yahoo.com]
Dear All;
Calculation of hindered rotation using G03 for some systems gives goes smoothly
with some systems while others failed. An error of "problem with degrees of
freedom" appears in one case and zero value for corrected partition
function for another case.Geom.=modify or Nosym did not help. I highly
appreciate if some could help in this respect.