[gmx-users] RE: error

[Ilya Chorny]

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

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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++