Hi, You can use g_hbond -num and write a small script to calculate the percentage of h-bond existence per frame by calculating the number of frames for which a h-bond exists. Good luck, Ran.
Moutusi Manna wrote: > > 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 > > > > > ------------------------------------------------------------------------ > Add whatever you love to the Yahoo! India homepage. Try now! > <http://in.rd.yahoo.com/tagline_metro_3/*http://in.yahoo.com/trynew> > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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