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b factor related constraints

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shunzhou edited this page Feb 1, 2018 · 2 revisions

I'm not sure if this is a better way to set constraints than the VMD TCL script, but it is what I'm using for the Abl systems. The constraints are set to proportion to π^2*k_B*T/b-factor. Constraints are set for atoms in PDB file only. No constraints for atoms in a mutant residue either.

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