rigid molecule

From: Mark M Huntress (markmh_at_bgsu.edu)
Date: Sun Mar 28 2010 - 15:34:30 CDT

Hi, I would like to simulate the reorientation of a molecule inside a protein cavity, while keeping the molecule completely rigid- bonds, angles and dihedrals. It should only be free to translate and rotate. I tried rigidbonds all but that did not work, because it was still too flexible to move (the dihedrals). Does anyone know if there is a way to do this in NAMD?

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