[gmx-users] H2O close to N-terms

[David van der Spoel]

rodrid3 at rpi.edu wrote:
> 
>   Someone has written a script to calculate how may times H2O molecules
> get really close or bind to the N-terminals of a protein?(it's outer
> part, not the core) Or maybe someone nows how to calculate the N-terms
> interactions with the solvent? Anything related to this would help. 
> 
use g_hbond

> 
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-- 
David.
________________________________________________________________________
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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