Greetings,
I am using the nativecontacts command to determine the number of contacts between a protein and a surface:
nativecontacts :1-22 :23-1030 distance 3.0 out contacts.dat
Residues 1-22 have a total of 202 atoms and the initial number of native contacts is 21.
The number of nonnative contacts spikes to numbers as large as 1075 in certain frames. Is this a bug? I am wondering why the number of contacts becomes so large. This is physically unrealistic
Thank you in advance.
Best, Kristin Krantzman
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Received on Mon Mar 21 2016 - 17:30:03 PDT
