I am trying to use newzmat to convert cartesian coordinates of a large
molecule into z-matrix. After typing
newzmat -icart Yb.com -ozmat Yb1.com ( where Yb.com is the g98 input
file with cartesian coords. ) I am getting the following message :
Illegal file or unit passed to FileIO.
FileIO: IOper= 0 IFilNo(1)= 0
Len=
0 IPos= 0
Q=
1099511606664
Error termination in NtrErr:
NtrErr Called from FileIO.
Segmentation fault (core dumped)
Any suggestions?
Thanks
Margaret
--
Margaret
Czerw
Rutgers, The State University of New Jersey
Wright-Rieman Laboratories,
Chemistry
610 Taylor
Road
Piscataway, NJ
08854-8087
Phone:
732-445-5164
email: marczerw { *at * }
rutchem.rutgers.edu
http://members.tripod.com/~mczerw/index.html