[Wien] can't open case.scf_mini

[Bing Zhou]

Hi Kevin,

Thanks! I will keep eyes on the calculations.

Best wishes!


On Mon, 28 Jun 2004, Jorissen Kevin wrote:

> It hasn't finished calculating the first structure yet?
>
> Kevin.
>
>
> 	-----Oorspronkelijk bericht-----
> 	Van: Bing Zhou [mailto:umbingz at cc.umanitoba.ca]
> 	Verzonden: zo 6/27/2004 11:29
> 	Aan: wien at zeus.theochem.tuwien.ac.at
> 	CC:
> 	Onderwerp: [Wien] can't open case.scf_mini
>
>
>
> 	Dear All,
>
> 	I tried to check the force at the atoms for the minization process using:
>
> 	grep :FOR001 L-Isoleucine-1996-new.scf_mini
>
> 	However, the computer shew:
>
> 	grep: can't open
> 	L-Isoleucine-1996-new.scf_mini
>
> 	while the mimization is still running, so what are the possible reasons
> 	for that and how to fix it?
>
> 	Thank you in advance!
>
>
> 	Bing Zhou
> 	Dept. of Geol. Sc.
> 	The Univ. of Manitoba
> 	Canada R3T 2N2
> 	Tel: (204)474-8395
>
> 	_______________________________________________
> 	Wien mailing list
> 	Wien at zeus.theochem.tuwien.ac.at
> 	http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
>



Bing Zhou
Dept. of Geol. Sc.
The Univ. of Manitoba
Canada R3T 2N2
Tel: (204)474-8395