[gmx-users] HBond frequency
erikm at xray.bmc.uu.se
Sat Sep 30 02:46:03 CEST 2006
----- Original Message -----
From: "Mark Abraham" <Mark.Abraham at anu.edu.au>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Friday, September 29, 2006 1:28 AM
Subject: Re: [gmx-users] HBond frequency
> 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
Almost. -hbm is the flag you would want to use.
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