Hi,
The xpm-file matches the [ hbonds ] index group in the index file spat
out by g_hbond. X:th line in the map is the h-bond given by the 4:th
entry in the index group. Be careful when matching the rows though,
because in the xpm file the first line of data is the bottom row of the
matrix if I remember correctly.
/Erik
Moutusi Manna skrev:
Dear all,
I am dealing with a POPC+PEPTDE+WATER system. Basic residues
of the peptide make hydrogen bonds with lipid headgroup (as reflected
from g_rdf analysis) and the number of hydrogen bonds formed can be
calculated from g_hbond program. Now, i want to calculate the % of
trajectory time for which a bond between a particular group (say LYS
and lipid headgroup po4) exist. -hbm gives a .xpm matrix, on solving
(using xpm2ps) that i got a .eps file, which is a picture file of
h_bond existence map, but the data sheet is not given.
Can any one help me to solve this problem?
With regards,
Moutusi Manna
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--
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
[email protected] http://xray.bmc.uu.se/molbiophys
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