Is there any way to specify clorin and florin atoms as a receptor. Nilesh
On Mon, April 11, 2011 11:08 am, Justin A. Lemkul wrote: > > > Nilesh Dhumal wrote: > >> Hello, >> >> >> I am trying to calculate number of hydrogen bond (O-H---CL)in my >> system. >> >> I use the following command >> >> >> >> g_hbond -f 3.trr -s 3.tpr -n hbond18.ndx -nonitacc -num >> >> >> Output file hbnum.xvg shows zero number of hydorgen bond. >> >> >> Can you tell me why its showing zero no. >> >> >> A strong peak is found in rdf between H and CL at 2.0 A. >> >> > > Chlorine is not considered a receptor in g_hbond. > > > -Justin > > >> I am using Gromacs 4.0.7 version. >> >> >> >> >> Nilesh >> >> >> >> >> > > -- > ======================================== > > > 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 > > > ======================================== > -- > 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 > > > -- 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