[gmx-users] Re: g_covar
glapidoth at gmail.com
Tue Aug 16 11:45:10 CEST 2011
Thanks for your replies.
I would like to clarify regarding my first questionn. I don't want a g_dist
matrix. I would like to get a covariance matrix where the values correspond
to absolute distance and not dived into different dimensions. for example
say I have a protein with 100 aa and I run g_covar only on Ca I'll get a
300X300 covariance matrix instead of a 100X100 matrix which is what I want.
is there any built in command in Gromacs that will give me this?
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