[AMBER] restraining mean square displacements

From: Irem Altan <irem.altan.duke.edu>
Date: Fri, 5 Aug 2016 19:52:35 +0000

Hi,

In the manual, the following is said about restraints:

“Restraints can also be defined in terms of the root-mean-square coordinate distance from some reference structure. This allows one to bias trajectories either towards or away from some target.”

How does this work exactly? Would this function allow for the protein atoms to have mean square displacements that are compatible with the B-factors reported in the PDB file?

Best,
Irem
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Received on Fri Aug 05 2016 - 13:00:02 PDT
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