Sounds like you you're using an old version of g_hbond. Either get a fresher
version of gmx_hbond from the cvs repository or use g_hbond -nomerge. The
latter generates unmerged hbn/hbm output that match. Look through the
mailinglists.
/Erik
----- Original Message -----
From: "merc mertens" <[EMAIL PROTECTED]>
To: "Discussion list for GROMACS users" <gmx-users@gromacs.org>
Sent: Wednesday, October 11, 2006 8:21 AM
Subject: [gmx-users] g_hbond
hello,
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,
merc
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