[gmx-users] water clusters MD

Oleksandr nablaoblada at yahoo.com
Wed Jun 2 12:11:42 CEST 2010

In addition to Marks e-mail and in order to close the topic I suggest you to exempt people from your "mentor" comments in future.


--- On Wed, 6/2/10, Mark Abraham <mark.abraham at anu.edu.au> wrote:

> From: Mark Abraham <mark.abraham at anu.edu.au>
> Subject: Re: [gmx-users] water clusters MD
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Wednesday, June 2, 2010, 9:52 AM
> ----- Original Message -----
> From: Oleksandr <nablaoblada at yahoo.com>
> Date: Wednesday, June 2, 2010 13:12
> Subject: Re: [gmx-users] water clusters MD
> To: Mark Abraham <mark.abraham at anu.edu.au>
> > There is some  inconsistency between the top/itp
> files that 
> > you provided.
> > The grompp gives an error "Found a second defaults
> directive."
> Please do not take discussions off the list. See http://www.gromacs.org/Support for why.
> My suggested files are not inconsistent. I have only one
> such directive and there's no way to get a second one
> without you doing something wrong. I can't have any idea
> what's happened since, and you haven't bothered to tell me.
> This particular error occurs regularly with new users, and
> is discussed here http://www.gromacs.org/Documentation/Errors.
> This goes to prove my point that you need more general
> experience of GROMACS before tackling this specific problem.
> Learn to walk before assuming you can run!
> Mark
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