[gmx-users] Re: perl script for g_hbond / summary_HBmap.dat

Causgrove, Tim Tim.Causgrove at tamucc.edu
Wed Nov 24 16:49:38 CET 2010


Hi,

There is a bridging waters TCL script available for VMD which may be useful.
It can be found at 
http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/bridging_waters/

-- 
Tim Causgrove
Associate Professor
Texas A&M University - Corpus Christi
6300 Ocean Drive, Unit 5802
Corpus Christi, TX 78412
361-825-2399



> Date: Wed, 24 Nov 2010 18:37:45 +0330
> From: leila karami <karami.leila1 at gmail.com>
> Subject: [gmx-users] perl script for g_hbond / summary_HBmap.dat
> To: gmx-users <gmx-users at gromacs.org>
> Message-ID:
>         <AANLkTikmOxojWNbFFpcSBZYWmbezjZnJJWVSeGjHoEnj at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Dear Erik and Justin
> 
> Thank you so much for ypur help.
> 
> yes I mean water mediated hydrogen bonds (protein-H2O-dna).
> 
> since I'm beginner in perl script, please clarify your answer and explain
> more. what is your mean of
> existence functions exactly?
> 
> do using of -ins option in g_hbond tool help me?
> 
> 
> --
> 
> Leila Karami
> Ph.D. student of Physical Chemistry
> K.N. Toosi University of Technology
> Theoretical Physical Chemistry Group
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