[gmx-users] g_hbond -contact option
leafyoung81-group at yahoo.com
Thu Nov 23 16:39:46 CET 2006
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 file, g_dist has less use than g_mindist when coming to
mere distance calculation.
On 11/22/2006 5:46 PM, andrea carotti wrote:
> 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
> with other tools like g_dist?
> Thanks to all
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