[gmx-users] H2O close to N-terms

David van der Spoel spoel at xray.bmc.uu.se
Tue Jun 20 09:30:26 CEST 2006

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

> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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

More information about the gromacs.org_gmx-users mailing list