[gmx-users] problem running the demo

Mao Mao maoyanren at gmail.com
Tue Jan 11 16:40:26 CET 2011

Hi All,
I ran into a problem when running the methanol example in "Getting Started".
When I ran "grompp -v", I got the following:

  Fatal error:
  Atomtype CMET not found

I installed Gromacs 4.5.3 on Ubuntu and planned to learn the software. Now I
am stuck.
Many thanks for your help! I really appreciate it.


On Wed, Jan 5, 2011 at 4:41 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

> Mao Mao wrote:
>> Hi All,
>> I am a new user of Gromacs and Linux. I am using Ubuntu 10.10 and
>> installed Gromacs 4.5.3 following the instructions. When I ran the demo, I
>> found that when I pressed <enter>, the xterm window which is supposed to
>> appear separately just flashed and disappeared immediately. For instance,
>> "the output of the genbox program should appear in a separate xterm window",
>> but when I pressed <enter> the window flashed and disappeared immediately.
>> Is there anything wrong that I need to fix or is that the way it should be?
> It is possible that something is wrong with the demo, but more likely
> something is wrong with your X window settings.  If you're looking for
> tutorial material, there are far better resources than this simple
> walkthrough:
> http://www.gromacs.org/Documentation/Tutorials
> -Justin
>  Best,
>> Mao
> --
> ========================================
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> ========================================
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