Dear users, Kindly clarify my doubt regarding salt bridge calculation.
Thank you Regards Kavya On Mon, Apr 1, 2013 at 3:48 PM, Kavyashree M <hmkv...@gmail.com> wrote: > Dear users, > > For calculating salt bridge in proteins I > am using g_hbond instead of g_saltbr. > > In g_hbond I use contact and mention two > indices consisting of > group 1: ASP_GLU_&_OD1_OD2_OE1_OE2: > group 2: ARG_LYS_&_NZ_NE_NH1_NH2: > > I use the command: > g_hbond_46 -f traj.xtc -s md.tpr -n index.ndx -contact -r 0.4 -hbm > matrix-sb.xpm -hbn index-sb.ndx -num num-sb.xvg -b 4000 -e 50000 > > Is this approach correct? > > Thank you > Kavya > -- 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
