A Heddell wrote:
Hi,
I am trying to analyse the number of hydrogen bonds between two sets of
residues in four different structures. I have run g_hbond for the two sets
on each structure and now I wish to work out the average and standard
deviation of the number of hydrogen bonds between these two sets for each
structure. I am using g_analyze for this, but it gives me out two sets of
values: SS1 and SS2. What are each of these, as I thought the value I was
looking for was a single value of the hydrogen bonds between my two sets of
residues? Am I missing something obvious or should I be doing something
different?
The second set is the number of contacts: within hb distance but not a
hb. You want to look at SS1 only.
Many thanks in advance,
Anna
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David van der Spoel, Ph.D.
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