still im getting problem, i checked the funct its have numerical value..stilll getting problem..do i have to install gromac 3 version for that..coz i having 4.0.5 version...
On Thu, Aug 6, 2009 at 3:22 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > mohit kumar wrote: > >> but i dnt find any 'type' column in my topology file..the grompp programm >> with this top file works gud in 3.3 version..im having 4.0.5 version..is >> that can be issue?? shud i try in 3.3 version >> >> > This may be some new error-checking mechanism introduced in version 4.0. > In your topology, a function type for pairs should be defined, according to > the header of this section (from pdb2gmx): > > [ pairs ] > ; ai aj funct c0 c1 c2 c3 > > If your "funct" column is blank or says "0" then that could be giving the > error. > > -Justin > > On Thu, Aug 6, 2009 at 2:48 PM, Justin A. Lemkul <jalem...@vt.edu<mailto: >> jalem...@vt.edu>> wrote: >> >> >> >> mohit kumar wrote: >> >> im running energy minimization for POPC bilayer but its showing >> error which i cant figure out >> >> -- ------------------------------------------------------- >> Program grompp, VERSION 4.0.5 >> Source code file: topdirs.c, line: 99 >> >> Fatal error: >> Invalid pairs type 0 >> >> what does this pair type mean and how can i solve it?? plz help me >> >> >> The error message is pretty clear. Somewhere within the topology, >> you have a "0" in the "type" column, which doesn't correspond to any >> known pair type. >> >> -Justin >> >> >> >> MOHIT KUMAR >> Molecular Biochemistry & Biophysics >> Graduate Student >> Illinois Institute of Technology >> Chicago,IL, USA >> >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> <mailto:gmx-users@gromacs.org> >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search >> before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org >> <mailto:gmx-users-requ...@gromacs.org>. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> >> >> -- ======================================== >> >> Justin A. Lemkul >> Ph.D. Candidate >> ICTAS Doctoral Scholar >> 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 gmx-users@gromacs.org >> <mailto:gmx-users@gromacs.org> >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the www >> interface or send it to gmx-users-requ...@gromacs.org >> <mailto:gmx-users-requ...@gromacs.org>. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> >> >> >> >> -- >> MOHIT KUMAR >> Molecular Biochemistry & Biophysics >> Graduate Student >> Illinois Institute of Technology >> Chicago,IL, USA >> >> > -- > ======================================== > > 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 > > ======================================== > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- MOHIT KUMAR Molecular Biochemistry & Biophysics Graduate Student Illinois Institute of Technology Chicago,IL, USA
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