Thanks for the information. On Thu, Nov 1, 2012 at 10:56 PM, Justin Lemkul <jalem...@vt.edu> wrote:
> > > On 11/1/12 1:23 PM, bipin singh wrote: > >> Thanks for your response. Hope to see this feature in upcoming GROMACS >> release. Before that, could it be possible to get the modified code in the >> user contribution section, it may be useful for many GROMACS users. >> >> > If someone writes the code, certainly. Gromacs is a user-driven > community, after all :) > > If there is a feature you want, file a feature request on > redmine.gromacs.org, otherwise no one is likely to pay much attention to > it, as other, much larger changes are ongoing. > > -Justin > > > >> On Thu, Nov 1, 2012 at 4:39 PM, Erik Marklund <er...@xray.bmc.uu.se> >> wrote: >> >> >>> 31 okt 2012 kl. 13.43 skrev Justin Lemkul: >>> >>> >>>> >>>> On 10/31/12 6:02 AM, bipin singh wrote: >>>> >>>>> Hello all, >>>>> >>>>> Is there any way to calculate fraction of native contacts during the >>>>> simulation in gromacs. I searched the archives but didn't found any >>>>> significant clue. >>>>> >>>> >>>> At present, there is no way to do this. Likely one could modify the >>>> >>> g_mindist code to do this - it would be a very nice feature. >>> >>>> >>>> >>> If one could get the -sel option of g_hbond to work again then you would >>> get such information with -contact. >>> >>> Erik >>> >>> >>> -Justin >>>> >>>> -- >>>> ==============================**========== >>>> >>>> Justin A. Lemkul, Ph.D. >>>> Research Scientist >>>> 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> >>>> >>> >>> ------------------------------**----------------- >>> Erik Marklund, PhD >>> Dept. of Cell and Molecular Biology, Uppsala University. >>> Husargatan 3, Box 596, 75124 Uppsala, Sweden >>> phone: +46 18 471 6688 fax: +46 18 511 755 >>> er...@xray.bmc.uu.se >>> http://www2.icm.uu.se/molbio/**elflab/index.html<http://www2.icm.uu.se/molbio/elflab/index.html> >>> >>> -- >>> 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> >>> >>> >> >> >> > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > 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> > -- ----------------------- *Regards,* Bipin Singh -- 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/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
