[gmx-users] % of existence of hydrogen bond
mou2c_21 at yahoo.co.in
Thu Oct 29 15:11:07 CET 2009
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?
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