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,
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