Hi Justin, I tried the "mixed" example today and when I ran grompp -v I got the following error:
Fatal error: Topology include file "methanol.itp" not found Could you help me with that? Thank you very much. Mao On Tue, Jan 11, 2011 at 9:43 AM, Justin A. Lemkul <[email protected]> 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. > > -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 >> >> ======================================== >> -- gmx-users mailing list [email protected] >> <mailto:[email protected]> >> >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> 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 [email protected] >> <mailto:[email protected]>. >> >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> >> > -- > ======================================== > > 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 > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
