Dear users, This is regarding an observation while calculating the salt bridge (sb) using g_saltbr.
I used g_saltbr and g_hbond (with contact option) with a cut of of 4Ang, for calculating sb in the whole protein at a single frame. I made sure that I considered sb between same set of residues (ASP, GLU with LYS ARG) in both calculations. and filtered accordingly. While checking the individual sb it was found that most of the results from g_saltbr matches with g_hbond but g_saltbr gives some extra sbs. On checking these extra sb it was found that the distance between the atoms forming sb are more than the cut of I had mentioned (4 Ang). Not sure why it is like this. But just wanted to convey this observation. Thank you regards 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
