[gmx-users] Re: errors due to genbox (Mark Abraham)

[wuxiao]

Dear Mark,

  When I set the option -vdwd up to a higher value, that problem is solved. So the error message is lost. Thanks a lot for your reply. 

  Sincerely,

  Chaofu Wu

 

 

 

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Date: Mon, 21 Sep 2009 05:08:45 +0000 (GMT)
From: Mark Abraham <mark.abraham at anu.edu.au>
Subject: Re: [gmx-users] errors due to genbox
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Message-ID: <fbd7d023669e.4ab70a5d at anu.edu.au>
Content-Type: text/plain; charset="utf-8"
 
On 09/21/09, wuxiao <xiaowu759 at hotmail.com> wrote:
> 
> 
> .hmmessage P{margin:0px;padding:0px}body.hmmessage{font-size: 10pt;font-family:Verdana}
> 
> Dear GMXers,
> Â Â  I try to generate gro file using genbox, but fail with some errors. Command lines are:
> Â Â  genbox -ci B.gro -o Bb.gro -nmol 200 -box 3 3 3
> Â Â  where B.gro is the coordinate file of vinyl alcohol residue.
> Â Â  The errors are given as bellows. Please give me some hints to cope with these problem. Thanks a lot for any reply.
> Â 
> Â Â  Sincerely,
> Â Â  Chaofu Wu
> Â 
> ........
> Â Â  success (now 1400 atoms)!
> 
All the following material is being generated by the operating system in response to some failure of GROMACS in allocating memory, or such. Providing more of the text before here may help developers assess what you're doing wrong.
 
Mark


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