Dear users, I would like to add that in case of ARG or LYS, the sidechain nitrogen atoms (NE,NZ,NH1,NH2) are present in the output. The problem s only with GLU and ASP residues. I use 4.5.3 version
Thank you kavya On Thu, Jan 3, 2013 at 3:28 PM, Kavyashree M <hmkv...@gmail.com> wrote: > Dear users, > > I used g_saltbr to calculate the salt-bridge interactions using: > g_saltbr -f ../traj.xtc -s ../topol.tpr -t 0.4 -sep > It gave the output for each atom-atom interaction within > the given cut-off. > When I checked the atom type that corresponds to the atom > number output in each file, side chain oxygen atoms of ASP > and GLU was not present in any of the file. And most of the > atoms that corresponds to the ASP and GLU were CB, CG or > CD. > Kindly someone clarify why is this so. > > 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
