[gmx-users] HBond frequency

Mark Abraham Mark.Abraham at anu.edu.au
Fri Sep 29 10:28:18 CEST 2006


liu xin wrote:
> Hello GMX users:
> 
> Just a quick question: how can I get the frequency of each HBond?
> 
>  From hbond.ndx we can get a list of hbonds, e.g. hbonds between protein 
> and drug, if I want to check the frequency of each hbond between the two 
> components respectively, how can I realize it?

man g_hbond and look for -xbm

Mark



More information about the gromacs.org_gmx-users mailing list