[gmx-users] how to obtain binding energy?

shahab shariati shahab.shariati at gmail.com
Wed May 18 11:54:21 CEST 2011


Dear Justin

thanks for your time and attention

in address
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/index.html

in Tutorial 3: Umbrella
Sampling<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/index.html>,
in Step One, you said '' For protein-ligand systems, please consult this
tutorial <http://eugen.leitl.org/chem/kerrigje/pdf_files/trp_drug_tutor.pdf>''
.

unfortunately, I can't access that (when clicked on link: Apologies, but the
page you requested could not be found).

how to access to that link?

I have another question about my system (protein-dna complex). If I do a
mutation in protein, can I obtain delta delta G by PMF method again?
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