[gmx-users] LIE energy values for dimers

jorge_quintero at ciencias.uis.edu.co jorge_quintero at ciencias.uis.edu.co
Sat Mar 13 20:13:50 CET 2010

Dear all

I used LIE method in order to obtain information related with free energy
bind between two proteins.  Previously, I obtained several dimeric
configuration using zdock package, and geometry optimization for each
model.  For the first ten complex, I used LIE.  These are my results:

complex1 -2267.44
complex2 -2191.92
complex3 -2136.47
complex4 -2430.13
complex5 -2227.88
complex6 -2476.61
complex7 -2327.87
complex8 -2219.41
complex9 -2299.76
complex10 -2324.9

Are these value correct?.  I'll appreciate your support!

Jorge R. Quintero
Universidad Industrial de Santander
Bucaramanga, Santander - Colombia

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