Ah well no worries. I will delve back into the gromacs and NAMD user guides and see what I can dig up with regards to getting these GROMOS files working through NAMD.
Thanks again for the help you have given me. Marc On Wed, Mar 28, 2012 at 4:19 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Marc Gordon wrote: > >> Oh awesome. Thanks so much for this. >> >> I've never worked with GROMOS or gromacs themselves. I'm going to need to >> look up whether or not it is possible to use these files to generate files >> in the gromacs format required as input for NAMD now but at least having >> access to the force fields puts me that much further along. I don't suppose >> you know offhand whether such a thing is possible? >> >> > Sorry, but I don't. I haven't done anything with NAMD that wasn't out of > the box. That's probably a question better posed to the NAMD people. > > -Justin > > I see they have a myriad of force fields available on ATB including the >> other one I am interested in 53A6. >> >> Thanks again. >> >> >> On Wed, Mar 28, 2012 at 2:50 PM, Justin A. Lemkul <jalem...@vt.edu<mailto: >> jalem...@vt.edu>> wrote: >> >> >> >> Marc Gordon wrote: >> >> Hi all >> >> I have never posted to the mailing list before but it has proven >> very helpful in the past. >> >> I'm looking for the 45A4 force field. I've been asking Mr. >> Google but so far I haven't had any luck locating it. This is I >> imagine probably down to the wrong keywords or something >> >> I want to do some work on disaccharides and I would very much >> like to use this force field. I'm going to be using it thorugh >> NAMD. >> >> I thought this would be the best place to ask if anyone knew of >> a site where this force field was being maintained or something. >> >> >> You can get the files from ATB: >> >> http://compbio.biosci.uq.edu._**_au/atb/ >> >> >> <http://compbio.biosci.uq.edu.**au/atb/<http://compbio.biosci.uq.edu.au/atb/> >> > >> >> They are formatted for use with the GROMOS MD package, but that's >> the only source of these files of which I'm aware. >> >> -Justin >> >> -- ==============================**__========== >> >> >> 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 >> <tel:%28540%29%20231-9080> >> >> http://www.bevanlab.biochem.__**vt.edu/Pages/Personal/justin<http://vt.edu/Pages/Personal/justin> >> >> <http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<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<http://lists.gromacs.org/__mailman/listinfo/gmx-users> >> >> >> <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> >> >> >> <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 gmx-users-requ...@gromacs.org >> <mailto:gmx-users-request@**gromacs.org<gmx-users-requ...@gromacs.org> >> >. >> Can't post? Read >> http://www.gromacs.org/__**Support/Mailing_Lists<http://www.gromacs.org/__Support/Mailing_Lists> >> >> <http://www.gromacs.org/**Support/Mailing_Lists<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<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<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 gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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