Ok thank you. kavya
On Wed, Dec 19, 2012 at 10:52 PM, Justin Lemkul <[email protected]> wrote: > > > On 12/19/12 11:43 AM, Kavyashree M wrote: > >> Sir, >> >> I thought that the order should not matter but when I used 18 - 1 >> and 1 - 18 the graph were slightly off. >> >> Group 18 is a set of residues in that protein with some unique property. >> I wanted to see the variation of Hbond of these residues with the whole >> protein. so group 18 is a subset of group 1. >> >> > You see a difference likely because you are invoking the command > incorrectly (with overlapping index groups) and it is affecting the way the > donor and acceptor arrays are constructed. The proper method of analysis > is to monitor H-bonds within "group 18" and then between "group 18" and > whatever part of the protein that does not overlap with it. > > > -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 [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> > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
