[gmx-users] Calculation of fraction of native contacts
kmilovv at gmail.com
Wed Mar 25 15:02:47 CET 2009
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,
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