Oh sorry, i used spc.itp now and it works. Thanks. Srinivas.
On Fri, Jul 22, 2011 at 5:48 PM, Justin A. Lemkul <[email protected]> wrote: > > > jampani srinivas wrote: > >> Hi Justin, >> >> Thanks for your reply, i have no particular choice i was using it for my >> other work and just started with it. >> >> Now i tried it again with spc model, >> >> I still get the following error. >> ++++++++++++++++++++++++++++++**++++++++++++++++ >> Program grompp, VERSION 4.5.4 >> Source code file: toppush.c, line: 1166 >> >> Fatal error: >> Atomtype OWT3 not found >> For more information and tips for troubleshooting, please check the >> GROMACS >> website at >> http://www.gromacs.org/**Documentation/Errors<http://www.gromacs.org/Documentation/Errors> >> ++++++++++++++++++++++++++++++**++++++++++++++++ >> >> > The error indicates you're trying to use TIP3P, not SPC. > > > I could see these atoms are defined in .itp file of gromos force filed, >> but i suspect some thing is going wrong with atom types in .atp file. >> >> any suggestions? >> > > Use SPC or SPC/E, they're the only models that actually seem to work with > Gromos96. > > > -Justin > > -- > ==============================**========== > > 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- ********************************************* *J. Srinivasa Rao Post-doctoral Research Associate Computational Biophysics Group Department of Physics, Drexel University 3141 Chestnut St, Philadelphia, PA 19104 Ph: 215-895-1989 Web:http://jsrao.web.officelive.com/default.aspx* **********************************************
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