[gmx-users] hydrogen bond lifetimes

Mikko Huhtala mhuhtala at abo.fi
Sat Aug 10 14:28:16 CEST 2002

I am looking for a way to compute average and median lifetimes of
particular hydrogen bonds in a trajectory. These values can be
computed from the data in the hbmap.xpm file written by g_hbond, but
the file is in a binary format and it is a bit awkward to parse. Am I
missing something obvious or should I go ahead to cook something to
extract the numbers from hbmap.xpm?


More information about the gromacs.org_gmx-users mailing list