[gmx-users] g_hbond

merc mertens merc.mertens at gmx.net
Wed Oct 11 17:21:55 CEST 2006


after using g_hbond to generate an *.xpm file one sees in the *.xpm file the following: "y-label: "Hydrogen Bond Index"" and the y-axis ranges between 0 and 163. if i look in the additionally generated hbbond.ndx file, i see at the bottom of it the group "[ hbonds_* ]". i assumed that the number of lines with three atoms each in this group would correspond to the "hydrogen bond index" in the *.xpm file. but when i count the lines there are more than 164 (i.e. 180) in this group. does one line in "[ hbonds_* ]" not correspond to one hydrogen bond index? and if so, what else does it correspond to??

thanks for any help,
GMX DSL-Flatrate 0,- Euro* - Überall, wo DSL verfügbar ist!
NEU: Jetzt bis zu 16.000 kBit/s! http://www.gmx.net/de/go/dsl

More information about the gromacs.org_gmx-users mailing list