[gmx-users] Calculation of fraction of native contacts

[Camilo Velez]

Dear users,

I just started using GROMACS and have trouble figuring out an efficient way
to compute the fraction of native contacts for a trajectory. I've checked
available options such as g_mdmat, g_dist, g_hbond and g_mindist as well as
previous posts, but still are not able to make a side-by-side comparison
of the contacts of my reference protein structure with those of each frame
in order to obtain the desired fraction.

I would appreciate any help on this matter,

Camilo
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090325/9bc2078d/attachment.html>