[gmx-users] hbond types over each frame
erikm at xray.bmc.uu.se
Fri Jan 12 19:00:28 CET 2007
Try the -hbm option.
Erik Marklund, PhD student
Laborarory 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
erikm at xray.bmc.uu.se http://xray.bmc.uu.se/molbiophys
On Tue, 9 Jan 2007, OZGE ENGIN wrote:
> By using the hnum option of g_hbond, I was able to get the hbond.ndx file. However, I want to know exactly which atom groups take participate to the formation of that hbonds over each frame both for prot-prot and prot-solvent. How can I do that? (In hbond.ndx file, as you know, the hbonds are written in a time-independet manner. )
> Thanks in advance!
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