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Project 10424 on FAH

Posted: Mon Nov 08, 2010 6:29 pm
by kyleb
This project is the second of several that study how the Villin headpiece folds in various experimental conditions. We plan on making very direct comparisons to a number of high-resolution kinetic experiments that were recently published. To do so, we need to examine Villin at several temperatures and with several concentrations of denaturant. This simulation is performed at 300K with no denaturant using the Amber99SB-ILDN force field that was developed earlier this year.

194 Points
13 day Timeout
19 day Deadline

Win32 only

This project uses the new A4 core that has recently finished several rounds of testing. This core is based on the recently released (http://www.gromacs.org/Downloads) 4.5.1 version of Gromacs.