hi,
kind of a simple problem (i hope): i did a minimization using AMBER 11:
&cntrl
imin = 1,
maxcyc = 2500,
ncyc = 1000,
ntb = 1,
ntr = 0,
cut = 10.0
/
In the .out file I get the energy information over the whole protein. What should I do to just get the energies of a single amino acid?
Is "idecomp" the way? Mind, I don´t want any fancy stuff, I just want to know how "happy" this particular amino acid is energy wise.
Thanx a lot!
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Received on Fri Jun 24 2011 - 00:30:06 PDT
