Hi,
this sounds like you should look into umbrella sampling and the WHAM
tools. There are many good papers about that approach available, but I
believe no Amber tutorial yet. Adapting the concept to actual simulations,
e.g. restrained center of mass distances is straightforward.
Kind Regards,
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Wed Apr 20 2011 - 01:30:02 PDT
