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

wuxiao xiaowu759 at hotmail.com
Mon Sep 21 08:37:53 CEST 2009

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. 


  Chaofu Wu





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,
>    I try to generate gro file using genbox, but fail with some errors. Command lines are:
>    genbox -ci B.gro -o Bb.gro -nmol 200 -box 3 3 3
>    where B.gro is the coordinate file of vinyl alcohol residue.
>    The errors are given as bellows. Please give me some hints to cope with these problem. Thanks a lot for any reply.
>    Sincerely,
>    Chaofu Wu
> ........
>    success (now 1400 atoms)!
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