[gmx-users] fraction of H-bonding per residue

[David]

On Thu, 2003-02-20 at 18:39, Evka Stefanekova wrote:
> Hi all,
> is it possible in GROMACS compute fraction of H-bonding per residue for 
> peptide/lipide/sol. simulation?
Your question is not completely clear to me, but you can compute number
of h-bonds between any two groups of atoms. Use g_hbond
> 
> Thanks in advance,
> 
> Eva
> 
> 
> --
> stefanekova at kopernik.cc.fmph.uniba.sk
> Department of Biophysics, Comenius University Bratislava, Slovak Republic
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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://xray.bmc.uu.se/~spoel
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