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Dear users,
I am having problem with adding heteroatoms to my
model. My template is a dimer with each having one inhibitor and one cofactor. I
use '.' for HETATM and 'w' for water molecule in my alignment file. But each
time I run, the .log file told me there are " too many non-bonded pairs.
Increase MPAIRS". What does it mean? What should I do?
By the way, what should the comment line be with 2
chains and 4 HETATM and one H2O all together?
The last several letters of the alignment file
is:
DHYRY/....w*
Is it right?
Best
Bessie
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