[gmx-users] HBond frequency

[Erik Marklund]

----- Original Message ----- 
From: "David van der Spoel" <spoel at xray.bmc.uu.se>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Saturday, September 30, 2006 2:37 AM
Subject: Re: [gmx-users] HBond frequency


> liu xin wrote:
>> 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 image header".
>>
> Try the gimp or use xpm2ps first.
>
> -- 
> David.

Or analyze the data by other means. The image data is uncompressed and 
stored row-wise in the file, making it relatively easy to extract, in your 
case, hbond frequencies, using most any scripting language.

/Erik

> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax: 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org   http://folding.bmc.uu.se
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