[gmx-users] problem running the demo
maoyanren at gmail.com
Mon Jan 17 21:51:34 CET 2011
I tried the "mixed" example today and when I ran grompp -v I got the
Topology include file "methanol.itp" not found
Could you help me with that?
Thank you very much.
On Tue, Jan 11, 2011 at 9:43 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 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.
>> On Wed, Jan 5, 2011 at 4:41 PM, Justin A. Lemkul <jalemkul at vt.edu<mailto:
>> 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:
>> -- ========================================
>> 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
>> -- gmx-users mailing list gmx-users at gromacs.org
>> <mailto:gmx-users at gromacs.org>
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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
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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