But trjorder can be used to calculate the hydration layer or shell around residues ... Right ??
On Mon, Nov 11, 2013 at 10:35 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/10/13 8:30 PM, bharat gupta wrote: > >> Thanks for your reply. I was missing the scientific notation part. Now >> everything is fine. >> >> Regarding trjorder, it doesn't measure h-bonds but gives the water nearest >> to protein. >> >> > I wouldn't try to draw any sort of comparison between the output of > trjorder and g_hbond. If you want to measure H-bonds, there's only one > tool for that. > > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > > ================================================== > -- > gmx-users mailing list email@example.com > 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 > -- gmx-users mailing list firstname.lastname@example.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