I'm looking for a little advice on my project regarding the type of simulations I'm using. I would really like to get in touch with someone to help me vet out my experimental method, poke holes in it and most of all tell me a little about Quantum Monte Carlo simulations.

My project Hydrogen@Home is developing methods to identify catalytic interactions based on protein structures. I hypothesize it is possible to identify catalytic interactions by generating an array of plausible reaction intermediates such as transition state structures and determining the lowest energy of interactions for binding them to a protein.

Researchers have pointed me towards Quantum Monte Carlo as a logical tool for predicting the structures of reaction intermediates. My attempts to get in touch with QMC@Home have failed. So I plead for advice.

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Hi Jack

Have you tried sending a private message to Martin; he seems to be the researcher who posts most frequently:

http://qah.uni-muenster.de/view_profile.php?userid=3

He posted on the QMC forum two days ago.

You could also try Stephan, who's also a researcher, but he hasn't posted for quite a while:

http://qah.uni-muenster.de/show_user.php?userid=10946

Hi Jack

Have you tried sending a private message to Martin; he seems to be the researcher who posts most frequently:

http://qah.uni-muenster.de/view_profile.php?userid=3

He posted on the QMC forum two days ago.

You could also try Stephan, who's also a researcher, but he hasn't posted for quite a while:

http://qah.uni-muenster.de/show_user.php?userid=10946

Thanks will do. I just attached to QMC so I could start corresponding with forums and PM.

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