AMBER Archive (2009)

Subject: Re: [AMBER] R.E.D. : Gaussian Error

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Sun Sep 06 2009 - 14:41:41 CDT

Dear manoj singh,

Sorry I do not understand this error message: is it too short ?

May I ask you to send a longer description of the end of the gaussian output ?

tail -n 100 your-gaussian.log

Moreover, is your structure organic or is it a metal complex ?

regards, Francois

> I want to derive parameter for some backbone modification with the help of
> R.E.D. While optimizing the structure using gaussian, I am getting following
> error
>
>
> ------------------------
>
> N-N= 1.498611543461D+03 E-N=-5.108901903167D+03 KE= 8.898672113154D+02
> No NMR shielding tensors so no spin-rotation constants.

=> I do not think this is an error message...

> Leave Link 601 at Sun Sep 6 10:23:58 2009, MaxMem= 33554432 cpu: 0.8
> (Enter /usr/local/GAUSSIAN_03//g03/l9999.exe)
>
>
> REFRAIN FROM ILLUSIONS, INSIST ON WORK AND NOT WORDS,
> PATIENTLY SEEK DIVINE AND SCIENTIFIC TRUTH.
> LAST WORDS OF MARIA MENDELEEVA TO HER SON DMITRI, C. 1850
> Error termination request processed by link 9999.
> Error termination via Lnk1e in /usr/local/GAUSSIAN_03//g03/l9999.exe at Sun
> Sep 6 10:23:59 2009.
> Job cpu time: 0 days 8 hours 4 minutes 2.9 seconds.
> File lengths (MBytes): RWF= 291 Int= 0 D2E= 0 Chk= 13
> Scr= 1
> ------------------------
>
> I will be very thankful for any suggestion.
>
> Sincerely,

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