Hello All
I am doing MMPBSA analysis of protein-DNA complex.
I want to ask a question that why sum of energy of all residue by per residue
energy decomposition is not equal to enthalpy of complex though both have same
energy component?
In my case sum of energy of all residue is -119.6 kcal/mol and enthalpy of
complex is 130.4 kcal/mol.
When I checked for MMPBSA tutorial there also two value are not equal
http://ambermd.org/tutorials/advanced/tutorial3/py_script/section6.htm
Sangita Kachhap
SRF
BIC,IMTECH
CHANDIGARH
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सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
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Received on Mon Dec 10 2012 - 01:30:03 PST
