[gmx-users] RE: error

[David van der Spoel]

On Mon, 6 Sep 2004, Ilya Chorny wrote:

>Thanks for you help. Any idea why such a dependence on the cut-offs?
>

I'm not sure. It could be a bug, I'll test some more.

>Cheers
>
>Ilya
>
>-----Original Message-----
>From: David van der Spoel [mailto:spoel at xray.bmc.uu.se]
>Sent: Monday, September 06, 2004 6:44 PM
>To: Ilya Chorny
>Subject: RE: error
>
>
>On Mon, 6 Sep 2004, Ilya Chorny wrote:
>
>>
>>
>>
>>Yes I did minimzie. Attatched are the most recent version of the files. The
>>only grompp
>>error that I get now is using Berendsen with Nose-Hoover. Thanks for
>>pointing out the missing
>>quote.
>>
>
>Hm, something to do with cut-offs...
>The attached file works, but has plain VDW cut-offs.
>
>>Ilya
>>
>>
>>did you minimize again?
>>
>>
>>
>>otherwise send me all your current files once more, but make sure to get
>>rid of the grompp errors, like the misscing quotes etc.
>>
>>
>>
>>--
>>David.
>>________________________________________________________________________
>>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>>Dept. of Cell and Molecular Biology, Uppsala University.
>>Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>>phone:	46 18 471 4205		fax: 46 18 511 755
>>spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
>>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>>
>
>--
>David.
>________________________________________________________________________
>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>Dept. of Cell and Molecular Biology, Uppsala University.
>Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>phone:	46 18 471 4205		fax: 46 18 511 755
>spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>
>_______________________________________________
>gmx-users mailing list
>gmx-users at gromacs.org
>http://www.gromacs.org/mailman/listinfo/gmx-users
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.
>

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++