[gmx-users] HBond frequency
zgxjlx at gmail.com
Sat Sep 30 09:09:28 CEST 2006
Thanks, but when ever I used ACDsee to visualize the generated hbmap.xpm,
I've got nothing, and ACDsee keeps on telling me that "Bad or unrecognized
On 9/30/06, Erik Marklund <erikm at xray.bmc.uu.se> wrote:
> ----- 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
> >> and drug, if I want to check the frequency of each hbond between the
> >> components respectively, how can I realize it?
> > man g_hbond and look for -xbm
> Almost. -hbm is the flag you would want to use.
> > Mark
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