[gmx-users] crash nsgrid.c
Fabio Affinito
affinito at gmail.com
Fri May 9 10:03:41 CEST 2008
Hi Berk,
thanks for your answer. I've checked the charge groups and every thing
seems to be ok (no single groups...). Actually I'm using 3.2.1
version, but it doesn't seem to be depending on that.
What could I check?
Fabio
On May 8, 2008, at 4:00 PM, gmx-users-request at gromacs.org wrote:
> ------------------------------
>
> Message: 3
> Date: Thu, 8 May 2008 15:21:16 +0200
> From: Berk Hess <gmx3 at hotmail.com>
> Subject: RE: [gmx-users] crash nsgrid.c
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <BLU134-W186D4AB05B3933895E45F18ED00 at phx.gbl>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Hi,There can be many reasons for such problems.I assume you use
> solvent.One option is that you could have made your whole proteina
> single charge group. grompp in Gromacs 3.3.3 checks for this,but
> older versions do not.Berk
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