Mao Mao wrote:
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.
There is a typo in the methanol.itp file in the /tutor/methanol subdirectory.
Replace it with the one from the gromos43a1.ff directory. There may be more
errors along the way; I don't think the demo has been updated in some time.
-Justin
Mao
On Wed, Jan 5, 2011 at 4:41 PM, Justin A. Lemkul <[email protected]
<mailto:[email protected]>> 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
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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