[gmx-users] essential dynamics
acb15885 at uprm.edu
Wed Aug 24 19:50:46 CEST 2005
I am trying to do an essential dynamics analysis of two simulation and I have
some question of the output that I get from g_anaeig and g_analyze. First
when I do the Overlap calculations between covariance analysis with g_anaeig
the -over option give me a plot with all the eigenvector and not the first 15
that I specified, How I use this plot? I need to go to the plot values and
find the overlap for the # eigenvectors that I decide to use. The other thing
is How I use the matrix from -inpr option? If the points go far from the
diagonal is not a good overlap???
With respect to g_analyze I have a question. What is the meaning of the plots
from the -dist and -ac options??? If someone could explain me or give some
references for background information it could help me to understand my
Thank you in advance.
More information about the gromacs.org_gmx-users