Subject: newzmat

From: Margaret Czerw <[email-masked]>
Date: Fri, 09 Feb 2001 15:01:32 -0500

Hi,

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:  [email-masked]
http://members.tripod.com/~mczerw/index.html