Subject: Help with NADP competitive inhibitors

From: "J. Smith" <[email-masked]>
Date: Tue, 20 Nov 2001 10:58:39 +0000 (GMT)

Hello - 

I wonder if someone can tell me where I can obtain a "free" list
of as many NADP competitive inhibitors as possible each with a reference
to a review or primary literature source. 

Thanks in advance

Dr James Smith
Department of Chemistry
University of Cambridge

---

From: Arvydas Tamulis <[email-masked]>
Date: Tue, 20 Nov 2001 21:33:59 +0200 (EET)

Dear Colleagues,

We wish to do according Gaussian description in www.gaussian.com:
PROMPT 1% formchk acrolein.chk
            Read checkpoint file
            Write formatted checkpoint file

---------------

Unfortunately in CRAY we did not received acrolein.fchk file:
pink 47% formchk acrol.chk
 Bad file opened by FileIO:  Unit=2 NFiles=         0 MaxFil=       213.
 FILEIO: IOPER= 9 IFILNO(1)=     2 LEN=       0 IPOS=       0 Q=
149763
 Error termination in NtrErr:
 NtrErr called from FileIO.
Operand range error

 Beginning of Traceback:
  Started from address 147470a in routine 'kill'.
  Called from line 2057 (address 4550d) in routine 'GAUABT'.
  Called from line 22 (address 34225d) in routine 'NTRERR'.
  Called from line 1264 (address 22736c) in routine 'FILEIO'.
  Called from line 28 (address 26071a) in routine 'FOPEN'.
  Called from line 58 (address 41620d) in routine 'STARCK'.
  Called from line 16 (address 352d) in routine 'FORMCH'.
  Called from line 360 (address 124674d) in routine '$START$'.
 End of Traceback.
Operand range error (core dumped)
_________________________________

Maybe you can say why we received bad result?

Thanking your in advance.
With best regards, Arvydas Tamulis
*****************************************
           Arvydas Tamulis

Doctor of Natural Sciences, senior research fellow

Institute of Theoretical Physics and Astronomy,
Theoretical Molecular Electronics Research Group,
A. Gostauto 12, Vilnius 2600, Lithuania
e-mail: [email-masked]; WEBsite: http://www.itpa.lt/~tamulis/
fax: +(370-2)-225361  or  +(370-2)-224694
Phone: +(370-2)-620861
Home address: Didlaukio 27-40, Vilnius 2057, Lithuania
Phone: +370-9919397