Besides used for h-bond, g_hbond can be used for determine whether the
distance has fallen into a range (with -nocontact and -r and -r2).
g_dist is not good for calculate for distance between two atoms but
g_mindist can perform this job well. Actually, because of a compulsive
input of tpr
carotti [EMAIL PROTECTED]
To: gmx-users@gromacs.org
Sent: Wednesday, November 22, 2006 10:46 AM
Subject: [gmx-users] g_hbond -contact option
Hi all,
I have found this interesting option in g_hbond, and I would like to
know something more about it. How does it work? Which is the difference
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