ADL: question about dGsolv and dGhbond

Lucilla angeli angeli2 at student.unisi.it
Wed Sep 22 07:24:02 PDT 2004


Hi,
The Estimated Free energy of binding dG can be expressed as following:
dG=dGelec+dGvdw+dGhbond+dGsolv+dGtors
I have carried out dGelec,dGvdw and dGtors from .dlg file but I don't 
know where I can try dGhbond or dGsolv.
Can someone help me?

Thanks in advance!!!

-- 

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Lucilla Angeli
c/o Prof. Botta
Dip. Farmaco Chimico Tecnologico
Universita' degli Studi Di Siena
Via Aldo Moro
I-53100 Siena, Italy
Phone:  ++39 0577 234307
Fax:    ++39 0577 234333
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