openAtom/NAMD2.9 implementation

From: Bennion, Brian (
Date: Mon Jul 30 2012 - 11:59:29 CDT


In a recent paper, openAtom and NAMD2.9 were used together to explore the reaction mechanism of ATP hydrolysis.

The methods seemed to imply that this functionality was readily available. However, a search of the documentation revealed no input parameters to access this functionality. Unless I missed something, which is likely.

Any pointers to the appropriate documentation or input parameters would be helpful.
Thank you
brian bennion

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